5I7V
Crystal structure of B. pseudomallei FabI in complex with NAD and PT02
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-27 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.873 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 69.620, 111.950, 262.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.739 - 2.600 |
R-factor | 0.2242 |
Rwork | 0.221 |
R-free | 0.27980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ek2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.135 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.980 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.216 | 1.167 |
Number of reflections | 32230 | |
<I/σ(I)> | 9 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.1 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 8 % PEG 1000, 8 % PEG 8000 |