5TEK
Apo Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.569, 122.607, 80.846 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.010 |
| R-factor | 0.1932 |
| Rwork | 0.192 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yl5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.558 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
| Rmerge | 0.061 | 0.049 | 0.655 |
| Number of reflections | 40777 | ||
| <I/σ(I)> | 13 | ||
| Completeness [%] | 99.6 | 96.5 | 99.3 |
| Redundancy | 5.5 | 4.9 | 4.8 |
| CC(1/2) | 0.994 | 0.856 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M Magnesium Chloride, 0.1 M HEPES pH 7.5, 25% PEG3350 |
