2RBT
n-methylbenzylamine in complex with Cytochrome C Peroxidase W191G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-12-06 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.989, 75.752, 107.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.240 |
| R-factor | 0.123 |
| Rwork | 0.122 |
| R-free | 0.14600 |
| Starting model (for MR) | 1ac4 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.594 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.280 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.061 | 0.407 |
| Number of reflections | 109612 | |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 93.1 | 60.4 |
| Redundancy | 3.4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 291 | MES, MPD, pH 6.0, vapor diffusion, hanging drop, temperature 291K, pH 6.00 |
