3FZW
Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin
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 | 2007-02-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979462 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.876, 71.196, 50.452 |
| Unit cell angles | 90.00, 89.92, 90.00 |
Refinement procedure
| Resolution | 55.050 - 1.320 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2inx |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.126 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.370 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.088 | 0.373 |
| Number of reflections | 68149 | |
| <I/σ(I)> | 10.337 | |
| Completeness [%] | 94.0 | 70.2 |
| Redundancy | 2.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Ammonium sulphate 1.4 M, 2-propanol 6.5%, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
