2CJ1
chloroperoxidase complexed with formate (ethylene glycol cryoprotectant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 58.280, 150.330, 99.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.750 - 1.700 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cpo |
RMSD bond length | 0.014 |
RMSD bond angle | 1.452 |
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 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.080 | 0.410 |
Number of reflections | 47188 | |
<I/σ(I)> | 9 | 2.9 |
Completeness [%] | 93.9 | 87 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.6 | 100 MM SODIUM FORMATE, 24 % PEG 3000, 0.1 M CITRATE PH 3.6 CRYOPROTECTANT CONTAINED 15 % ETHYLENE GLYCOL |