Data collection | Unbound Selenomethionine (P 21) | Pyruvate (C 2) | ||
---|---|---|---|---|
Wavelength, Å a | 0.97960 (i) | 0.97940 (p) | 0.97565 (r) | 0.97565 |
Resolution range, Å | 68-1.7 | 68-1.8 | 68-2.0 | 48-1.4 |
Cell parameters: | ||||
a | 104.61 | 118.02 | ||
b | 63.94 | 78.06 | ||
c | 127.95 | 95.14 | ||
β | 106.64° | 124.98° | ||
No. of measured reflections | 581707 | 506662 | 374656 | 500384 |
No. of unique reflections | 175148 | 149602 | 109442 | 137318 |
R sym b,c | 8.7 (46.2) | 8.0 (25.3) | 7.4 (18.3) | 7.7 (49.1) |
I/σIc | 12.3 (2.2) | 13.1 (3.6) | 13.5 (5.3) | 15 (3.1) |
Completeness, %b | 98.5 (95.5) | 99.5 (98.2) | 99.6 (98.6) | 99 (97.9) |
Sites (n) | 40 | |||
Refinement | ||||
Resolution range, Å | 68-1.7 | 48-1.4 | ||
Rcryst /Rfree | 17.9/20.5 | 17.3/18.4 | ||
No. of non hydrogen atoms: | ||||
Total | 11298 | 5795 | ||
Protein | 1054 | 5304 | ||
Glycerol | 24 | |||
Pyruvate | - | 12 | ||
Ion | - | 2 | ||
Water | 731 | 477 | ||
Average B-factors, Å 2 : | ||||
Main-chain | 16.1 | 9.6 | ||
Side-chain | 18.2 | 11.3 | ||
Glycerol | 35.8 | - | ||
Pyruvate | - | 9.2 | ||
Ion | - | 4.4 | ||
Water | 24.8 | 19.6 | ||
RMSD bonds, Å | 0.012 | 0.007 | ||
RMSD angles, ° | 1.30 | 1.14 | ||
PDB code | 2HZK | 2HZL |