5I7S
Crystal structure of B. pseudomallei FabI in complex with NAD and PT01
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-13 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.430, 75.860, 89.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.284 - 1.595 |
R-factor | 0.1534 |
Rwork | 0.152 |
R-free | 0.17840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ek2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.145 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.284 | 1.680 |
High resolution limit [Å] | 1.595 | 1.595 |
Rmerge | 0.096 | 0.655 |
Number of reflections | 33816 | |
<I/σ(I)> | 11.2 | 2.2 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 4.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 30 % PEG 300 |