2PZV
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas Putida (pksi) with bound Phenol
Replaces: 2B32Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.905, 50.540, 72.290 |
| Unit cell angles | 90.02, 89.98, 110.21 |
Refinement procedure
| Resolution | 22.540 - 1.250 |
| R-factor | 0.188 |
| Rwork | 0.183 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.024 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.037 | 0.415 |
| Number of reflections | 111105 | |
| Completeness [%] | 93.0 | |
| Redundancy | 2.2 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 1.4 M ammonium sulphate, 7% (v/v) 2-propanol, 40 mM potasium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
