7AYX

Structure of the cytochrome P450 AryC from Streptomyces roseosporus NRRL 15998

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 3 2 1
Unit cell lengths	149.263, 149.263, 107.188
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.320 - 2.530
R-factor	0.2363
Rwork	0.235
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zby
RMSD bond length	0.006
RMSD bond angle	1.072
Data reduction software	DIALS (2.2.5)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.320	2.620
High resolution limit [Å]	2.530	2.530
Rmerge	0.330	1.580
Rpim	0.184
Number of reflections	46292	4486
<I/σ(I)>	3.8	0.9
Completeness [%]	100.0	99.9
Redundancy	8	8.2
CC(1/2)	0.981	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1M Hepes pH 7.0 2.4M ammoniumsulfate