4AIV
Crystal Structure of putative NADH-dependent nitrite reductase small subunit from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 35.104, 35.104, 180.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.458 - 2.000 |
| R-factor | 0.1967 |
| Rwork | 0.194 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c0d |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.460 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.180 |
| Number of reflections | 8430 | |
| <I/σ(I)> | 22.9 | 7.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.6 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 1.2 M NACL, 0.1 M TRI-SODIUM CITRATE (5.5) |
