6U77
yGsy2p in complex with small molecule
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 193 |
Detector technology | PIXEL |
Collection date | 2017-03-26 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9800 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 192.257, 206.557, 205.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 145.520 - 2.850 |
R-factor | 0.2018 |
Rwork | 0.199 |
R-free | 0.25930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nb0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.424 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 145.520 | 2.900 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmeas | 0.100 | 0.843 |
Rpim | 0.040 | 0.347 |
Number of reflections | 95326 | 4703 |
<I/σ(I)> | 20.3 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 6 | 5.7 |
CC(1/2) | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris, pH 5.9 and 13-15% PEG300 |