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 |
