3BE0
The Role of Asn 242 in P450cin
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 | 2006-12-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.397, 128.676, 69.024 |
| Unit cell angles | 90.00, 97.84, 90.00 |
Refinement procedure
| Resolution | 47.950 - 3.050 |
| R-factor | 0.236 |
| Rwork | 0.236 |
| R-free | 0.32200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t2b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.100 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.148 | |
| Number of reflections | 17982 | |
| Completeness [%] | 91.1 | 91.1 |
| Redundancy | 6.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.8M sodium malonate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
