1XXO
X-ray crystal structure of mycobacterium tuberculosis pyridoxine 5'-phosphate oxidase at 1.8 a resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.339794, 1.105523, 1.033204 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.949, 55.386, 54.840 |
| Unit cell angles | 90.00, 108.17, 90.00 |
Refinement procedure
| Resolution | 34.740 - 1.800 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.23100 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| 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 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 22952 | |
| <I/σ(I)> | 12.9 | 2.2 |
| Completeness [%] | 92.4 | |
| Redundancy | 2.1 | 1.4 |
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, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
