5I8Z
Crystal structure of B. pseudomallei FabI in complex with NAD and PT12
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 | 2012-05-25 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.542 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.550, 75.910, 89.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.969 - 1.623 |
R-factor | 0.1421 |
Rwork | 0.141 |
R-free | 0.16270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ek2 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.918 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.970 | 1.710 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.037 | 0.147 |
Number of reflections | 32015 | |
<I/σ(I)> | 21.8 | 7.5 |
Completeness [%] | 98.9 | 99.8 |
Redundancy | 4.7 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 22% PEG 400 |