1ZJ9
Structure of Mycobacterium tuberculosis NirA protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.983, 83.307, 108.801 |
| Unit cell angles | 90.00, 102.22, 90.00 |
Refinement procedure
| Resolution | 55.000 - 2.900 |
| R-factor | 0.20605 |
| Rwork | 0.202 |
| R-free | 0.27998 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2get |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.592 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 23209 | |
| <I/σ(I)> | 5.6 | 2.1 |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 4000, tris-HCl, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
