2ZQX
Cytochrome P450BSbeta cocrystallized with heptanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 172.230, 172.230, 277.919 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.570 - 2.370 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zqj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.350 |
| Rmerge | 0.079 |
| Number of reflections | 61629 |
| <I/σ(I)> | 23.92 |
| Completeness [%] | 93.7 |
| Redundancy | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 293 | 12.5%(w/v) PEG3350, 50mM Tris-HCl, 0.1m MgCl2, 20% glycerol, 20mM heptanoic acid, pH8.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
