8JUA
Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-15 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54184 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 92.620, 81.939, 144.165 |
Unit cell angles | 90.00, 94.39, 90.00 |
Refinement procedure
Resolution | 23.310 - 2.000 |
R-factor | 0.206499818957 |
Rwork | 0.204 |
R-free | 0.25565 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.473 |
Data reduction software | CrysalisPro (CrysalisPro171.39.7e) |
Data scaling software | Aimless (CCP4Interface 7.1.015) |
Phasing software | MOLREP (CCP4Interface 7.1.015) |
Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.310 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.103 | 0.638 |
Rmeas | 0.115 | 0.775 |
Rpim | 0.049 | 0.432 |
Total number of observations | 13298 | |
Number of reflections | 72440 | 4397 |
<I/σ(I)> | 10.5 | 1.7 |
Completeness [%] | 99.7 | |
Redundancy | 5.1 | 3 |
CC(1/2) | 0.994 | 0.544 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 3.5-4M sodium formate |