Table 2 Data collection and refinement statistics
From: New insights into the molecular mechanism of the Rab GTPase Sec4p activation
Sec4pV29 | Sec4pV29.Sec2p complex | |
|---|---|---|
Data collection statistics | ||
Space group | P21 | I222 |
Unit cell | 116.900 119.280 122.860 | |
a, b, c (Å) | 31.720, 75.450, 66.230 | |
β (°) | 91.58 | |
Wavelength (Å) | 1.54180 | 1.08090 |
Resolution range (Å) | 28.30–1.90 (2.00-1.90) | 60.00–2.90 (2.90–3.06) |
No. reflections/no. unique reflections | 39912/23244 | 152363/19373 |
Redundancy | 1.7 (1.6) | 7.9 (8.1) |
Completeness (%) | 94.8 (98.3) | 99.8 (100) |
Rmeas (%) | 7.1 (38.9) | 9.0 (54.5) |
I/σ (I) | 9.1 (2.3) | 5.1 (1.5) |
Refinement statistics | ||
Resolution range (Å) | 28.30–1.90 | 59.64–2.90 |
no. of reflections (working data/test data) | 21713/1170 | 17371/879 |
R-factor/R-free (%) | 23.9/29.7 | 25.8/29.5 |
Protein atoms | 2598 | 2867 |
Water molecules | 464 | 16 |
Mean B value/Wilson B value (protein, all atoms) (Å2) | 17.2/22.0 | 51.5/66.8 |
Mean B value (ligand) (Å2) | 16.3 | 74.2 |
rmsd bond length (Å) | 0.011 | 0.012 |
rmsd bond angle (°) | 1.432 | 1.613 |