3RWL
Structure of P450pyr hydroxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-04-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.736 |
| Spacegroup name | P 31 |
| Unit cell lengths | 112.604, 112.604, 41.964 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.759 - 2.000 |
| R-factor | 0.1621 |
| Rwork | 0.160 |
| R-free | 0.19620 |
| Structure solution method | SAD |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.085 |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.759 | 48.759 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.034 | 0.522 | |
| Total number of observations | 6711 | 23980 | |
| Number of reflections | 38307 | ||
| <I/σ(I)> | 14.6 | 18 | 1.4 |
| Completeness [%] | 95.3 | 99.5 | 85.8 |
| Redundancy | 5.1 | 5.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 4000, 10% ISOPROPANOL, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
