2JJO
Structure of cytochrome P450 EryK in complex with its natural substrate erD
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 | 2007-01-23 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.840, 36.526, 96.004 |
| Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
| Resolution | 95.780 - 1.990 |
| R-factor | 0.167 |
| Rwork | 0.163 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jjn |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.577 |
| 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] | 30.000 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.240 |
| Number of reflections | 27953 | |
| <I/σ(I)> | 13 | 10.9 |
| Completeness [%] | 91.5 | 80.4 |
| Redundancy | 4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 25% PEG 3350, 0.2M AMMONIUM ACETATE, 0.1M TRIS PH 8.5 |
