8JNO
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-31 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54184 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 92.032, 82.178, 144.422 |
| Unit cell angles | 90.00, 94.32, 90.00 |
Refinement procedure
| Resolution | 12.910 - 2.000 |
| R-factor | 0.2171 |
| Rwork | 0.214 |
| R-free | 0.26690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.286 |
| 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] | 12.910 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.114 | 0.273 |
| Rmeas | 0.121 | 0.307 |
| Rpim | 0.038 | 0.139 |
| Total number of observations | 657390 | 21841 |
| Number of reflections | 70089 | 4645 |
| <I/σ(I)> | 14 | 4.4 |
| Completeness [%] | 96.7 | |
| Redundancy | 9.4 | 4.7 |
| CC(1/2) | 0.994 | 0.931 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 3.5-4 M sodium formate |
