4CV7
Crystal structure of Rhodococcus equi VapB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-30 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 83.820, 83.820, 49.130 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.400 |
R-factor | 0.17252 |
Rwork | 0.170 |
R-free | 0.19854 |
Structure solution method | SAD |
RMSD bond length | 0.024 |
RMSD bond angle | 2.234 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXD |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.440 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.100 | 1.260 |
Number of reflections | 20584 | |
<I/σ(I)> | 26.9 | 2.67 |
Completeness [%] | 100.0 | 100 |
Redundancy | 37 | 29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | SITTING DROP VAPOUR DIFFUSION AT 293 K WITH 1 UL PROTEIN (10 MG/ML) PLUS 0.5 UL RESERVOIR SOLUTION CONSISTING OF 0.01 M COCL2, 0.1 M NA-ACETATE, PH 4.6, AND 1.0 M HEXANEDIOL (JCSG CORE II CONDITION G4). |