6Q7Q

Crystal structure of OE1.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	33.952, 71.125, 51.922
Unit cell angles	90.00, 106.33, 90.00

Refinement procedure

Resolution	40.810 - 1.900
R-factor	0.1787
Rwork	0.176
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uw6
RMSD bond length	0.008
RMSD bond angle	0.711
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]	40.810	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.054	0.396
Rmeas	0.064
Rpim	0.035	0.265
Number of reflections	18693	1841
<I/σ(I)>	11.56	2.28
Completeness [%]	99.6	97.97
Redundancy	3.3	3.2
CC(1/2)	0.998	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.02 M calcium chloride dihydrate 0.1 M sodium acetate pH 4.6, 30 % v/v MPD