2VHX
Crystal structure of the ternary complex of L-alanine dehydrogenase from Mycobacterium tuberculosis with NAD+ and pyruvate
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 | 2007-12-09 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 176.247, 171.767, 98.254 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.000 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.645 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.200 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.540 |
Number of reflections | 182162 | |
<I/σ(I)> | 10.1 | 1.8 |
Completeness [%] | 91.0 | 67.2 |
Redundancy | 3.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |