2WIV
Cytochrome-P450 XplA heme domain P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2006-04-29 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.129, 123.019, 64.608 |
| Unit cell angles | 90.00, 98.54, 90.00 |
Refinement procedure
| Resolution | 63.890 - 1.900 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z3t |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.917 |
| 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] | 63.890 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.350 |
| Number of reflections | 57099 | |
| <I/σ(I)> | 10 | 6 |
| Completeness [%] | 91.5 | 41.9 |
| Redundancy | 1.8 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M BI-TRIS PROPANE, PH 6.5; 22% PEG 3350; 0.02M POTASSIUM PHOSPHATE; 32 MG ML -1 PROTEIN |
