2CIZ
chloroperoxidase complexed with acetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.460, 150.820, 100.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.780 - 1.300 |
R-factor | 0.149 |
Rwork | 0.148 |
R-free | 0.17000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cpo |
RMSD bond length | 0.012 |
RMSD bond angle | 1.495 |
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 | 1.330 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.090 | 0.330 |
Number of reflections | 104573 | |
<I/σ(I)> | 9.9 | 2.9 |
Completeness [%] | 94.7 | 76.9 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.6 | CRYSTALS WERE SOAKED IN 300 MM ACETIC ACID, 50 MM KBR, 22 % PEG3000, 0.1 M CITRATE PH 3.6 FOR 10 MIN AT ROOM TEMPERATURE |