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 |