2XBL
Crystal structure of GmhA from Burkholderia pseudomallei in complex with product
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-21 |
Detector | ADSC CCD |
Wavelength(s) | 0.9763,1.283 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.200, 83.680, 126.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.772 - 1.620 |
R-factor | 0.148 |
Rwork | 0.146 |
R-free | 0.17900 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.006 |
RMSD bond angle | 1.015 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELXCDE |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.800 | 1.710 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.090 | 0.630 |
Number of reflections | 93361 | |
<I/σ(I)> | 13.1 | 2.2 |
Completeness [%] | 94.4 | 71.8 |
Redundancy | 6.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 0.05 M SODIUM ACETATE PH 4.6, 4% PEG 4000 |