5TJZ
Structure of 4-Hydroxytetrahydrodipicolinate Reductase from Mycobacterium tuberculosis with NADPH and 2,6 Pyridine Dicarboxylic Acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 67.157, 67.157, 251.325 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.500 |
R-factor | 0.1486 |
Rwork | 0.148 |
R-free | 0.16870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c3v |
RMSD bond length | 0.019 |
RMSD bond angle | 2.036 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.054 | 0.040 | 0.537 |
Number of reflections | 52243 | ||
<I/σ(I)> | 11.4 | ||
Completeness [%] | 95.1 | 87.3 | 97.8 |
Redundancy | 7.6 | 7.9 | 4.3 |
CC(1/2) | 0.997 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Sodium Chloride, 0.1 M Bis-Tris pH 6.5, 1.5 M Ammonium Sulfate |