2JJP
Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.243, 68.038, 57.687 |
| Unit cell angles | 90.00, 100.71, 90.00 |
Refinement procedure
| Resolution | 56.700 - 2.100 |
| R-factor | 0.199 |
| Rwork | 0.195 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jjn |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.611 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.190 |
| Number of reflections | 25326 | |
| <I/σ(I)> | 16.5 | 12.7 |
| Completeness [%] | 91.4 | 85.7 |
| Redundancy | 3.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 2.0M AMMONIUM SULHATE, 0.1M BIS-TRIS PH 6.5 |
