2JJN
Structure of closed cytochrome P450 EryK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.460, 68.004, 57.407 |
| Unit cell angles | 90.00, 101.05, 90.00 |
Refinement procedure
| Resolution | 56.340 - 1.590 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2VRU |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.636 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.190 |
| Number of reflections | 53926 | |
| <I/σ(I)> | 19.9 | 19.1 |
| Completeness [%] | 99.2 | 97.9 |
| Redundancy | 3.1 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 2.0M AMMONIUM SULPHATE, 0.1M BIS-TRIS PH 6.5 |
