6F7R

AKR1B1 at 0.03 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	47.348, 66.604, 49.399
Unit cell angles	90.00, 92.05, 90.00

Refinement procedure

Resolution	10.000 - 0.920
Rwork	0.104
R-free	0.13150
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]	49.370	0.940
High resolution limit [Å]	0.920	0.920
Rmerge	0.032	0.296
Rmeas	0.038	0.352
Rpim	0.019	0.185
Number of reflections	210924	10127
<I/σ(I)>	18.9	3.6
Completeness [%]	99.5	96.7
Redundancy	3.6	3.3
CC(1/2)	0.999	0.889

Crystallization Conditions

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