4W1V
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 193 |
Detector technology | CCD |
Collection date | 2013-10-10 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.039, 66.237, 204.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 102.120 - 2.240 |
R-factor | 0.1719 |
Rwork | 0.170 |
R-free | 0.20990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.351 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (2.3.0) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 102.120 |
High resolution limit [Å] | 2.240 |
Rmerge | 0.089 |
Number of reflections | 41863 |
<I/σ(I)> | 10.2 |
Completeness [%] | 96.1 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Protein: 25 mM HEPES, 50 mM NaCl, 0.1 mM TCEP Reservoir:9% PEG 8000, 0.1M magnesium chloride, 0.1M HEPES Cryo: 15% PEG 400 in reservoir solution |