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 |
