3NWY
Structure and allosteric regulation of the uridine monophosphate kinase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.918500 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 136.710, 175.480, 65.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.700 - 2.540 |
| R-factor | 0.20813 |
| Rwork | 0.205 |
| R-free | 0.26859 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.402 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.700 | 2.600 |
| High resolution limit [Å] | 2.470 | 2.490 |
| Rmerge | 0.121 | |
| Number of reflections | 51899 | |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 90.8 | 61.4 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 291 | Na/K Tartrate 1.1 M HEPES pH 7.7 0.1 M MPD 2%, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
