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 |