8JOO
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-06 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54184 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 92.174, 82.121, 143.920 |
| Unit cell angles | 90.00, 94.41, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.250 |
| R-factor | 0.2191 |
| Rwork | 0.217 |
| R-free | 0.26430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.875 |
| Data reduction software | CrysalisPro (171.39.7e) |
| Data scaling software | Aimless (CCP4Interface 7.0.073) |
| Phasing software | MOLREP (CCP4Interface 7.0.073) |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.890 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.159 | 0.418 |
| Rmeas | 0.193 | 0.508 |
| Rpim | 0.108 | 0.282 |
| Total number of observations | 139583 | 13314 |
| Number of reflections | 49517 | 4579 |
| <I/σ(I)> | 5 | 2.3 |
| Completeness [%] | 97.5 | |
| Redundancy | 2.8 | 2.9 |
| CC(1/2) | 0.977 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 3.5-4.0 M sodium formate |
