3R9B
Crystal structure of Mycobacterium smegmatis CYP164A2 in ligand free state
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Detector technology | CCD |
| Collection date | 2010-02-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9108, 1.7394, 1.7423, 1.7035 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 178.396, 102.776, 92.412 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 92.450 - 1.890 |
| R-factor | 0.18407 |
| Rwork | 0.183 |
| R-free | 0.20189 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.246 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.450 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.900 |
| Rmerge | 0.065 | 0.676 |
| Number of reflections | 131656 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M HEPES, 0.8M Sodium dihydrogen phosphate, 0.8M Potassium dihydrogen phosphate, 3% w/v 6-Aminohexanoic acid, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
