6FYJ

Cytochrome P450 peroxygenase CYP152K6 in complex with Myristic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.915
Spacegroup name	C 1 2 1
Unit cell lengths	93.952, 71.173, 68.425
Unit cell angles	90.00, 103.58, 90.00

Refinement procedure

Resolution	56.140 - 1.300
R-factor	0.1742
Rwork	0.173
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1izo
RMSD bond length	0.014
RMSD bond angle	1.336
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2880: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.140	56.140
High resolution limit [Å]	1.300	1.300
Rmeas	0.043	1.500
Number of reflections	105940
<I/σ(I)>	14.4	1
Completeness [%]	99.0
Redundancy	2.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	Morpheus Screen condition A5 (Molecular Dimensions)