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 |