7W6Y
Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-02 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9700 |
Spacegroup name | P 1 |
Unit cell lengths | 44.560, 49.780, 76.080 |
Unit cell angles | 86.90, 79.18, 82.19 |
Refinement procedure
Resolution | 40.910 - 3.100 |
R-factor | 0.2583 |
Rwork | 0.256 |
R-free | 0.29870 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.503 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AutoSol |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.300 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Rpim | 0.038 | 1.601 |
Number of reflections | 22986 | 1130 |
<I/σ(I)> | 20 | 1.4 |
Completeness [%] | 99.8 | |
Redundancy | 135.8 | |
CC(1/2) | 0.999 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 28-30% (vol./vol.) Polyethylene glycol 500 monomethyl ether, 100 mM NaCl, 100 mM CaCl2, and 100 mM HEPES-Na (pH7.0) |