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 |