8U7E
Structure of Sts-1 HP domain with rebamipide derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.777, 122.701, 99.945 |
Unit cell angles | 90.00, 112.62, 90.00 |
Refinement procedure
Resolution | 92.260 - 2.630 |
R-factor | 0.2192 |
Rwork | 0.215 |
R-free | 0.29830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w5g |
RMSD bond length | 0.015 |
RMSD bond angle | 1.728 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 122.700 | 2.710 |
High resolution limit [Å] | 2.630 | 2.630 |
Rmerge | 0.172 | 0.787 |
Rmeas | 0.221 | 1.019 |
Rpim | 0.136 | 0.639 |
Total number of observations | 126932 | 11153 |
Number of reflections | 52513 | 4513 |
<I/σ(I)> | 7.2 | 1.2 |
Completeness [%] | 95.9 | |
Redundancy | 2.4 | 2.5 |
CC(1/2) | 0.979 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1 M Hepes 10% Ethylene glycol 0.3 M magnesium chloride 20% PEG 8000 |