2CJ2
chloroperoxidase complexed with formate (sugar cryoprotectant)
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 | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.940, 150.600, 100.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.770 - 1.600 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cpo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.341 |
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 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.060 | 0.390 |
Number of reflections | 56733 | |
<I/σ(I)> | 12.9 | 2.5 |
Completeness [%] | 94.3 | 76.1 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.6 | 100 MM SODIUM FORMATE, 24 % PEG 3000, 0.1 M SODIUM CITRATE PH 3.6 CRYOPROTECTANT: ML SUPPLEMENTED WITH 10 % XYLITOL, 10 % SUCROSE |