6TUF

Human Aldose Reductase in complex with ALR43

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	47.175, 66.440, 49.219
Unit cell angles	90.00, 92.39, 90.00

Refinement procedure

Resolution	34.760 - 1.150
R-factor	0.1304
Rwork	0.129
R-free	0.15240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4prt
RMSD bond length	0.006
RMSD bond angle	0.982
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.130	1.220
High resolution limit [Å]	1.150	1.150
Number of reflections	105135	16246
<I/σ(I)>	19.2	2.3
Completeness [%]	97.3
Redundancy	3.7
CC(1/2)	1.000	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	PEG 6000, DTT, diammonium hydrogen citrate, NADP+