5VXD
Crystal structure of Xanthomonas campestris OleA E117A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-10-30 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.03317 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.393, 85.988, 103.562 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.968 |
R-factor | 0.1711 |
Rwork | 0.169 |
R-free | 0.21410 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ku3 |
RMSD bond length | 0.027 |
RMSD bond angle | 2.410 |
Data reduction software | HKL-2000 (v705) |
Data scaling software | HKL-2000 (v705) |
Phasing software | REFMAC (5.8.0158) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.990 |
High resolution limit [Å] | 1.960 | 5.320 | 1.968 |
Rmerge | 0.101 | 0.050 | 0.714 |
Rmeas | 0.117 | 0.058 | 0.827 |
Rpim | 0.058 | 0.029 | 0.414 |
Number of reflections | 52682 | 2793 | 2599 |
<I/σ(I)> | 11.8 | 2 | |
Completeness [%] | 99.9 | 97.6 | 100 |
Redundancy | 4 | 3.7 | 4 |
CC(1/2) | 0.998 | 0.995 | 0.581 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 292 | 16% PEG 8000, 105 mM potassium phosphate dibasic, 100 mM sodium citrate pH 4.2 |