1Y30
X-ray crystal structure of mycobacterium tuberculosis pyridoxine 5'-phosphate oxidase complexed with flavin mononucleotide at 2.2 a resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-03-17 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.851, 55.238, 54.829 |
Unit cell angles | 90.00, 108.36, 90.00 |
Refinement procedure
Resolution | 22.860 - 2.200 |
R-factor | 0.195 |
Rwork | 0.195 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 12534 | |
<I/σ(I)> | 8.2 | 3.5 |
Completeness [%] | 92.0 | 94.4 |
Redundancy | 2.5 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12% PEG 8000, 8% ETHYLENE GLYCEROL, 25 mM POTASSIUM FLUORIDE, Crystals were soaked overnight in 5mM FMN solution in water, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |