3PK0
Crystal structure of Short-chain dehydrogenase/reductase SDR from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.541780 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.140, 78.010, 155.430 |
| Unit cell angles | 90.00, 102.22, 90.00 |
Refinement procedure
| Resolution | 41.230 - 1.750 |
| R-factor | 0.152 |
| Rwork | 0.150 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uvd |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.520 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.230 | 41.230 | 1.800 |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.057 | 0.027 | 0.480 |
| Number of reflections | 102002 | 1234 | 6635 |
| <I/σ(I)> | 20.47 | 57.4 | 3.2 |
| Completeness [%] | 96.1 | 99 | 85.2 |
| Redundancy | 7.53 | 4.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Internal tracking number 216858D10. JCSG+ screen condition D10: 0.2 M CaOAc2, 0.1 M MES cacodylate pH 6.5, 40% PEG300, MysmA.01365.d.A1 PW 28823 at 28.7 mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
