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 |
