5JTD
Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with DMSO.
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 | 2015-12-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.690, 145.390, 62.900 |
| Unit cell angles | 90.00, 97.08, 90.00 |
Refinement procedure
| Resolution | 47.360 - 1.500 |
| R-factor | 0.1745 |
| Rwork | 0.173 |
| R-free | 0.19770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jpz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.561 |
| Data reduction software | XDS (v.Oct-2015) |
| Data scaling software | XSCALE (v.Oct-2015) |
| Phasing software | PHASER (2,5,7) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.360 | 47.360 | 1.500 |
| High resolution limit [Å] | 1.400 | 10.000 | 1.400 |
| Rmerge | 0.044 | 0.011 | 0.829 |
| Number of reflections | 183724 | ||
| <I/σ(I)> | 9.61 | 44.13 | 0.96 |
| Completeness [%] | 79.5 | 95.8 | 48.1 |
| Redundancy | 3.2 | ||
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 150 mM MgCl2, 125 mM Na-MOPS, 20% PEG 3350, cryo: 30% glycerol |
