9ISS
Crystal Structure of Cytochrome P450BM3 III-10C1 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-29 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.575, 145.442, 63.106 |
| Unit cell angles | 90.00, 97.37, 90.00 |
Refinement procedure
| Resolution | 47.440 - 1.460 |
| R-factor | 0.16661 |
| Rwork | 0.166 |
| R-free | 0.18242 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.825 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.440 | 1.480 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.101 | 0.745 |
| Rmeas | 0.110 | 0.838 |
| Rpim | 0.045 | 0.376 |
| Total number of observations | 1039925 | |
| Number of reflections | 177212 | 8628 |
| <I/σ(I)> | 11.6 | 2.1 |
| Completeness [%] | 98.1 | 97.1 |
| Redundancy | 5.9 | 4.7 |
| CC(1/2) | 0.993 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.4 | 293 | PEG 8000, Tris-HCl, magnesium chloride, N-decanoyl homoserine lactone |
