6GMF

Structure of Cytochrome P450 CYP109Q5 from Chondromyces apiculatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	120
Detector technology	PIXEL
Collection date	2017-12-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	44.690, 55.020, 74.800
Unit cell angles	90.00, 91.67, 90.00

Refinement procedure

Resolution	44.710 - 1.550
R-factor	0.18669
Rwork	0.185
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ofq
RMSD bond length	0.012
RMSD bond angle	1.589
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.020	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.050	0.530
Rpim	0.040	0.450
Number of reflections	52220	2586
<I/σ(I)>	11.6	2
Completeness [%]	99.8	99.8
Redundancy	3.9	4
CC(1/2)	1.000	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris-HCl pH 8.5, 28% (w/v) PEG 3350, 0.1 M NaCl