3CPO
Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol
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 | 2007-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97952 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 35.347, 95.013, 72.376 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.190 - 1.240 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2inx |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.945 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.280 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.053 | 0.500 |
| Number of reflections | 33296 | |
| <I/σ(I)> | 14.7 | 2 |
| Completeness [%] | 95.3 | 67.7 |
| Redundancy | 11.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | AMMONIUM SULPHATE 1.4 M, 2-PROPANOL 5-7%, PROTEIN CONCENTRATION 25 MG/ML, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
