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