3G5F
Crystallographic analysis of cytochrome P450 cyp121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 140 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM Q315r |
| Wavelength(s) | 0.997 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.373, 77.373, 264.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.700 - 1.400 |
| R-factor | 0.16039 |
| Rwork | 0.159 |
| R-free | 0.19024 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n40 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.411 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.270 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.078 | 0.347 |
| Number of reflections | 93031 | |
| <I/σ(I)> | 21.9 | 5.3 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 12.2 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 277 | Ammonium sulfate, seating drop, vapor diffusion, pH 6.5, temperature 277K |
