8TWU
Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-11-22 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.710, 120.999, 46.223 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.730 - 1.840 |
| R-factor | 0.1658 |
| Rwork | 0.164 |
| R-free | 0.20910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.730 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 38294 | 38156 |
| <I/σ(I)> | 24.7 | |
| Completeness [%] | 99.6 | |
| Redundancy | 7.3 | |
| CC(1/2) | 0.993 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 15% PEG 3350 50 mM Tris pH 7.5 |
