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 |