5I9L
Crystal structure of B. pseudomallei FabI in complex with NAD and PT404
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 | 2011-11-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.579, 75.063, 86.375 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.531 - 1.800 |
R-factor | 0.1769 |
Rwork | 0.175 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.147 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.190 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.072 | 0.637 |
Number of reflections | 22817 | |
<I/σ(I)> | 15.4 | 3.1 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 30 % PEG 400 |