8EUH
cytochrome P450terp (cyp108A1) bound to alpha-terpineol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2021-10-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 68.120, 68.120, 455.406 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.990 - 2.000 |
R-factor | 0.1806 |
Rwork | 0.179 |
R-free | 0.21010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cpt |
RMSD bond length | 0.015 |
RMSD bond angle | 1.588 |
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] | 58.990 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rpim | 0.032 | 0.278 |
Number of reflections | 44104 | 4262 |
<I/σ(I)> | 14.4 | 2.61 |
Completeness [%] | 99.8 | |
Redundancy | 22.9 | |
CC(1/2) | 0.997 | 0.910 |
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 |