6RQ0

CYP121 in complex with 3-methyl dicyclotyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	78.259, 78.259, 265.173
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.774 - 1.600
R-factor	0.169
Rwork	0.168
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1N40
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.600	1.640
High resolution limit [Å]	1.600	1.600
Number of reflections	64438	4321
<I/σ(I)>	7.8	2.6
Completeness [%]	99.9	99
Redundancy	14.5	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	1.5 - 2.1 M Ammonium sulfate, 0.1 M MES