5OMU

Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with syringol

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	2017-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	105.360, 105.360, 113.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.567 - 1.950
R-factor	0.1497
Rwork	0.148
R-free	0.17760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	2.230
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.080	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.045	0.800
Rpim	0.020	0.347
Number of reflections	47054	3384
<I/σ(I)>	26.2	3.3
Completeness [%]	100.0	99.9
Redundancy	11.6	11.9
CC(1/2)	1.000	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	2.4M sodium malonate, 0.2M syringol