5I9N
Crystal structure of B. pseudomallei FabI in complex with NAD and PT412
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 | 2013-01-21 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.542 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 72.630, 74.670, 96.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.607 - 2.512 |
R-factor | 0.1591 |
Rwork | 0.156 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ek2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.090 |
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] | 59.110 | 2.650 |
High resolution limit [Å] | 2.510 | 2.510 |
Rmerge | 0.120 | 0.215 |
Number of reflections | 8929 | |
<I/σ(I)> | 10.7 | 6.4 |
Completeness [%] | 96.6 | 94.1 |
Redundancy | 4.8 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bistris, pH 6.5, 30 % PEG 300 |