Crystal name and nucleotide content | |||||||
---|---|---|---|---|---|---|---|
C1 GppNHp | C2 GDP | C3 S-caged GTP | C4 R-caged GTP | C5 R-caged GTP→GTP | C6 R-caged GTP→GDP | C7 R-caged GTP→GTP | |
Data collection and processing | |||||||
Synchrotron (Beamline) | ESRF (ID14-1) | SLS (PX-I) | ESRF (ID14-4) | ESRF (ID14-4) | ESRF (ID14-4) | ESRF (ID14-4) | ESRF (ID14-4) |
Area detector | Q4R ADSC | CCD CHESS | Q4R ADSC | Q4R ADSC | Q4R ADSC | Q4R ADSC | Q4R ADSC |
Temperature (K) | 100 | 100 | 100 | 100 | 100 | 100 | 100 |
Wavelength (Å) | 0.934 | 0.827 | 0.920 | 0.939 | 0.976 | 0.939 | 0.976 |
Space group | R32 | C222(1) | P4(1) | P4(1) | P4(1) | P4(1) | P4(1) |
Cell dimensions (Å) | a = b = 88.5 c = 144.1 | a = 49.0 b = 53.8 c = 116.0 | a = b = 69.1 c = 35.5 | a = b = 69.1 c = 35.5 | a = b = 69.3 c = 35.0 | a = b = 69.4 c = 34.8 | a = b = 69.3 c = 35.0 |
Resolution limit a (Å) | 67.42 - 1.70 (1.75 - 1.70) | 50.00 - 0.99 (1.00 - 0.99) | 69.01 - 1.24 (1.26 - 1.24) | 69.34 - 1.00 (1.05 - 1.00) | 69.34 - 1.25 (1.30 - 1.25) | 69.34 - 1.22 (1.30 - 1.22) | 69.34 - 1.30 (1.40 - 1.30) |
Number of recorded reflections | 276701 | 400222 | 317470 | 541277 | 283084 | 286285 | 258379 |
Number of unique recorded reflections | 23933 | 82821 | 46194 | 91096 | 46204 | 47013 | 41195 |
Average redundancy | 11.6 | 4.8 | 6.9 | 5.9 | 6.1 | 6.1 | 6.3 |
R sym a,b (%) | 8.1 (86.1) | 4.9 (60.5) | 4.9 (33.4) | 5.2 (67.9) | 4.3 (51.5) | 4.6 (45.7) | 5.5 (54.9) |
Average I/σ a (I) | 16.9 (2.1) | 15.0 (2.3) | 18.7 (3.1) | 13.6 (2.3) | 20.7 (3.5) | 21.5 (3.0) | 16.05 (3.14) |
B -factor from Wilson plot (Å 2 ) | 30.9 | 12.0 | 18.3 | 14.0 | 21.1 | 22.1 | 22.6 |
Refinement statistics | |||||||
Resolution range a (Å) | 67.42 - 1.80 (1.85 - 1.80) | 50.00 - 1.00 (1.03 - 1.00) | 69.01 - 1.24 (1.27 - 1.24) | 69.34 - 1.05 (1.08 - 1.05) | 69.34 - 1.25 (1.28 - 1.25) | 69.34 - 1.22 (1.25 - 1.22) | 69.34 - 1.30 (1.33 - 1.30) |
Number of unique reflections | 19368 | 76394 | 44152 | 78796 | 43911 | 44702 | 39138 |
Completeness of data a (%) | 99.88 (100.00) | 96.95 (96.03) | 96.78 (76.25) | 99.93 (99.97) | 99.92 (99.94) | 94.12 (55.47) | 100.00 (100.00) |
R work a,c / R free a,d (%) | 14.6/18.5 (18.9/23.7) | 14.4/16.3 (27.0/27.7) | 14.6/18.6 (21.8/21.2) | 15.6/18.1 (26.5/27.9) | 14.8/17.0 (24.6/24.3) | 14.9/17.6 31.4/34.5 | 14.9/18.0 (27.2/30.9) |
Ramachandran plot e Favored, allowed, generous, disallowed (%) | 94.7, 5.3, 0.0, 0.0 | 89.3, 10.0, 0.7, 0.0 | 87.3, 10.3, 1.0, 0.3 | 89.3, 9.0, 1.0, 0.7 | 90.0, 9.7, 0.0, 0.3 | 90.0, 9.0, 0.7, 0.3 | 89.7, 10.0, 0.0, 0.3 |
Rmsd on bond lengths (Å) | 0.016 | 0.012 | 0.012 | 0.015 | 0.015 | 0.011 | 0.015 |
Rmsd on bond angles (deg) | 1.808 | 1.719 | 1.625 | 1.855 | 1.742 | 1.534 | 1.753 |
Mean B -factors (Å 2 ) | |||||||
Backbone (conformation A|B) | 30.0 | 8.0 | 8.4 | 14.2 | 14.9 | 5.2 | 4.8 | 7.0 | 8.5 | 18.0 | 16.6 | 13.0 | 14.9 |
Side-chain (conformation A|B) | 34.4 | 10.3 | 11.0 | 16.1 | 17.2 | 7.4 | 6.9 | 10.1 | 11.3 | 20.58 | 18.3 | 15.9 | 17.7 |
Nucleotide (conformation A|B) | 25.7 | 6.8 | 6.8 | 15.0 | 16.2 | 6.0 | 7.3 | 6.7 | 7.2 | 20.0 | 16.0 | 12.3 | 12.6 |
Fluorophore (conformation A|B) | 85.6 | 32.0 | 33.4 | 23.6 | 30.8 | 19.7 | 12.5 | 42.0 | 32.2 | - | 43.5 | 42.4 |
Solvent | 49.4 | 24.0 | 26.3 | 28.5 | 29.7 | 38.2 | 24.1 |
PDB ID | 2CL0 | 2CE2 | 2CL6 | 2EVW | 2CL7 | 2CLD | 2CLC |