6Q7P

Crystal structure of OE1.2

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	2018-04-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	33.980, 71.310, 52.890
Unit cell angles	90.00, 105.28, 90.00

Refinement procedure

Resolution	41.490 - 1.960
R-factor	0.1739
Rwork	0.172
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uw6
RMSD bond length	0.005
RMSD bond angle	0.743
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]	41.490	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.056	0.480
Rpim	0.036	0.300
Number of reflections	17448	1718
<I/σ(I)>	11.15	2.06
Completeness [%]	99.5	98.85
Redundancy	3.4	3.4
CC(1/2)	0.998	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.05 M magnesium sulfate heptahydrate, 0.1 M HEPES pH 7.5, 28 % v/v PEG Smear Medium