2WIY
Cytochrome P450 XplA heme domain P21212
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 124.293, 64.677, 54.048 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 124.030 - 1.490 |
| R-factor | 0.149 |
| Rwork | 0.147 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z3t |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.330 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0082) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 124.030 | 1.530 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.060 | 0.190 |
| Number of reflections | 68213 | |
| <I/σ(I)> | 13 | 10 |
| Completeness [%] | 99.6 | 94.3 |
| Redundancy | 7.4 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M BIS-TRIS PROPANE, PH 6.5; 0.2 M MAGNESIUM FORMATE, 20% W/V PEG 3350 |
