3GVC
Crystal structure of probable short-chain dehydrogenase-reductase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Collection date | 2009-03-19 |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 81.690, 51.380, 118.840 |
| Unit cell angles | 90.00, 94.50, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.450 |
| R-factor | 0.195 |
| Rwork | 0.192 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iy8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.176 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.510 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.135 | 0.561 |
| Number of reflections | 36246 | 2654 |
| <I/σ(I)> | 7.97 | 2.2 |
| Completeness [%] | 98.8 | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | Emerald Wizard Full screen condition F6, 20% PEG 3000, 0.1 M Tris, 0.2 M CaCl2, 11.8 mg/mL protein, crystal ID 202293f6, 25% glycerol as cryo-protectant, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
