6F84

AKR1B1 at 2.55 MGy radiation dose.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9017
Spacegroup name	P 1 21 1
Unit cell lengths	47.378, 66.730, 49.539
Unit cell angles	90.00, 92.00, 90.00

Refinement procedure

Resolution	10.000 - 1.090
Rwork	0.120
R-free	0.15160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j8t
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.510	1.110
High resolution limit [Å]	1.090	1.090
Rmerge	0.041	0.295
Rmeas	0.048	0.341
Rpim	0.025	0.183
Number of reflections	127354	5997
<I/σ(I)>	15.6	4.1
Completeness [%]	99.4	94.9
Redundancy	3.6	3.3
CC(1/2)	0.999	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	PEG 6000, AmCitrate