1T2B
Crystal Structure of cytochrome P450cin complexed with its substrate 1,8-cineole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.400, 68.960, 105.550 |
| Unit cell angles | 90.00, 95.61, 90.00 |
Refinement procedure
| Resolution | 43.430 - 1.700 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pha |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.430 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 97930 | |
| <I/σ(I)> | 6.3 | 6.8 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 3.57 | 3.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 1.7M Sodium Malonate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
