3O38
Crystal structure of a short chain dehydrogenase from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.810, 75.720, 80.030 |
| Unit cell angles | 90.00, 102.71, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.165 |
| Rwork | 0.162 |
| R-free | 0.21490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iy8 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.355 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 | |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.055 | 0.019 | 0.355 |
| Number of reflections | 64541 | 714 | 3951 |
| <I/σ(I)> | 18.92 | 55.5 | 2.9 |
| Completeness [%] | 97.4 | 90 | 81 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 53.4 mg/mL MysmA00762bA1 PS00603 against PACT B2, 0.1 M MIB buffer, 25% PEG 1500, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
