9ISU
Crystal Structure of Cytochrome P450BM3 V-19A14 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-20 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.900, 148.320, 65.330 |
| Unit cell angles | 90.00, 100.11, 90.00 |
Refinement procedure
| Resolution | 48.590 - 1.320 |
| R-factor | 0.1637 |
| Rwork | 0.163 |
| R-free | 0.17981 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.440 | 1.350 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.133 | 6.932 |
| Rmeas | 0.136 | 7.058 |
| Number of reflections | 257607 | 19032 |
| <I/σ(I)> | 13.58 | 1.45 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 28.4 | 28.2 |
| CC(1/2) | 0.999 | 0.579 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.4 | 293 | PEG 8000, Tris-HCl, magnesium chloride, N-decanoyl homoserine lactone |
