8BOS
Transition state analogue complex of small G protein and its GAP effector
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-02 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.832, 41.558, 89.674 |
Unit cell angles | 90.00, 109.25, 90.00 |
Refinement procedure
Resolution | 84.660 - 2.100 |
R-factor | 0.20217 |
Rwork | 0.198 |
R-free | 0.27994 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wq1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.437 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.660 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.176 | 0.659 |
Rmeas | 0.213 | 0.821 |
Rpim | 0.112 | 0.478 |
Number of reflections | 16248 | 206 |
<I/σ(I)> | 12.6 | 1.7 |
Completeness [%] | 54.1 | |
Redundancy | 3.4 | 2.8 |
CC(1/2) | 0.981 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | precipitant: HEPES-Na 100 mM pH = 8.0, PEG3350 22% (w/v), (NH4)2SO4 20 mM, Gd-HCl 100 mM, NaF 20 mM protein buffer: HRas 0.400 mM, RasGAP 0.400 mM, HEPES-Na 20 mM, NaF 20 mM drop size: 5 uL, protein:precipitant ratio: 1:1.2 |