7UOR

Crystal structure of cytochrome P450 enzyme CYP119 in complex with methyliridium(III) mesoporphyrin.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	I 4
Unit cell lengths	190.213, 190.213, 266.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.150 - 3.160
R-factor	0.1834
Rwork	0.181
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bv5
RMSD bond length	0.012
RMSD bond angle	1.752
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4444)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.150	3.272
High resolution limit [Å]	3.159	3.159
Rmerge	0.218
Number of reflections	80832	8034
<I/σ(I)>	7.86
Completeness [%]	99.9
Redundancy	9.2
CC(1/2)	0.995	0.406

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium acetate 0.1 M Bis-TRIS pH 6.5 25 % Pentaerythritol propoxylate (5/4 PO/OH)