6Q7O

Crystal structure of OE1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.916
Spacegroup name	P 1 21 1
Unit cell lengths	34.110, 70.530, 52.820
Unit cell angles	90.00, 104.24, 90.00

Refinement procedure

Resolution	41.430 - 2.000
R-factor	0.1939
Rwork	0.192
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uw6
RMSD bond length	0.002
RMSD bond angle	0.506
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_3304)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.430	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.564
Rmeas	0.072
Rpim	0.039	0.360
Number of reflections	16357	1603
<I/σ(I)>	11.5	2.04
Completeness [%]	99.4	99.38
Redundancy	3.3	3.4
CC(1/2)	0.990	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M sodium acetate trihydrate, 0.1 M Tris pH 8.5, 30 % w/v PEG 4000