7FEV

Crystal structure of Old Yellow Enzyme6 (OYE6)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	52.850, 59.137, 122.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.703 - 1.594
R-factor	0.1733
Rwork	0.172
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kru
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.092	0.058	0.844
Rmeas	0.099	0.063	0.918
Rpim	0.036	0.023	0.358
Total number of observations	428330
Number of reflections	58195	3393	3086
<I/σ(I)>	9.9
Completeness [%]	92.3	99.5	99.4
Redundancy	7.4	7.2	6.3
CC(1/2)		0.993	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.1 M Tris pH 8.5; bicine, 0.10 M carboxylic acid;37.5% MPD, PEG1000 and PEG3350