3UNL
Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 64.571, 64.571, 502.154 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.360 - 2.520 |
| R-factor | 0.2262 |
| Rwork | 0.224 |
| R-free | 0.26790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m8c |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.286 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 2.660 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.102 | 0.408 |
| Number of reflections | 22617 | |
| <I/σ(I)> | 18.1 | 4.2 |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 10.5 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 298 | 1.4 M ammonium sulfate, 20 mM potassium phosphate, 1 mM EDTA, 2mM DTT, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
