8JNC
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-27 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54184 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 91.895, 81.948, 143.838 |
| Unit cell angles | 90.00, 94.30, 90.00 |
Refinement procedure
| Resolution | 13.290 - 2.000 |
| R-factor | 0.1912 |
| Rwork | 0.189 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.335 |
| 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] | 13.290 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.162 | 0.647 |
| Rmeas | 0.182 | 0.801 |
| Rpim | 0.080 | 0.463 |
| Total number of observations | 351712 | 12301 |
| Number of reflections | 71321 | 4530 |
| <I/σ(I)> | 7.8 | 1.5 |
| Completeness [%] | 99.2 | |
| Redundancy | 4.9 | 2.7 |
| CC(1/2) | 0.986 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 3.5-4 M sodium formate |
