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 |