5I8W
Crystal structure of B. pseudomallei FabI in complex with NAD and PT401
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-01-11 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.542 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.700, 75.690, 88.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.584 - 1.629 |
R-factor | 0.1641 |
Rwork | 0.163 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ek2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.173 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.740 | 1.720 |
High resolution limit [Å] | 1.629 | 1.630 |
Rmerge | 0.063 | 0.119 |
Number of reflections | 29346 | |
<I/σ(I)> | 15.9 | 8.7 |
Completeness [%] | 93.0 | 88.4 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 36 % PEG 300 |