8EUK
cytochrome P450terp (cyp108A1) bound to ethylene glycol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2022-06-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 68.730, 68.730, 457.039 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 59.520 - 1.980 |
R-factor | 0.1814 |
Rwork | 0.180 |
R-free | 0.20640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cpt |
RMSD bond length | 0.011 |
RMSD bond angle | 1.350 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.520 | 2.055 |
High resolution limit [Å] | 1.980 | 1.984 |
Rpim | 0.018 | 0.050 |
Number of reflections | 46098 | 4465 |
<I/σ(I)> | 27.93 | 11.55 |
Completeness [%] | 99.9 | 99.98 |
Redundancy | 20.1 | |
CC(1/2) | 0.998 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.06 M magnesium chloride hexahyrate, 0.06 M calcium chloride dihydrate, 0.1 M sodium HEPES and MOPS (acid) pH 7.5, 20% v/v ethylene glycol, 10% v/v PEG 8000 |