4MJD
Crystal structure of ketosteroid isomerase fold protein Hmuk_0747
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.915, 76.858, 39.297 |
| Unit cell angles | 90.00, 109.10, 90.00 |
Refinement procedure
| Resolution | 22.390 - 1.280 |
| R-factor | 0.1364 |
| Rwork | 0.135 |
| R-free | 0.16540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kvh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.353 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.290 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.051 | 0.384 |
| Number of reflections | 53619 | |
| <I/σ(I)> | 39 | 2.9 |
| Completeness [%] | 98.7 | 85.9 |
| Redundancy | 6.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 297 | 0.2M MgCl2, 0.1M HEPES, 30% PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
