2J5M
Structure of Chloroperoxidase Compound 0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 59.010, 150.420, 99.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.790 - 1.750 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cpo |
RMSD bond length | 0.006 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.110 | 0.410 |
Number of reflections | 185241 | |
<I/σ(I)> | 10.9 | 3.6 |
Completeness [%] | 95.6 | 89.3 |
Redundancy | 4.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 22 % PEG3000, 0.1 M KBR, 0.1 M NA CITRATE PH 3.6 |