4E8W
Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 69.579, 69.579, 336.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.200 - 2.865 |
R-factor | 0.2205 |
Rwork | 0.219 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e84 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.875 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.200 | 2.900 |
High resolution limit [Å] | 2.850 | 2.850 |
Number of reflections | 18187 | |
Completeness [%] | 90.5 | 93.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES, 2% PEG 400, 2.0M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |