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 |