3DGI
Crystal structure of F87A/T268A mutant of CYP BM3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-03 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.934, 146.625, 63.515 |
| Unit cell angles | 90.00, 97.36, 90.00 |
Refinement procedure
| Resolution | 40.360 - 1.950 |
| R-factor | 0.17914 |
| Rwork | 0.177 |
| R-free | 0.22043 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bu7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.455 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.081 | 0.637 |
| Number of reflections | 69973 | |
| <I/σ(I)> | 15.1 | 1.4 |
| Completeness [%] | 89.8 | 48.2 |
| Redundancy | 3.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 12% PEG 8000, 100mM Tris-HCl pH 8.5, 200mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
