5AZ1

Crystal structure of aldo-keto reductase (AKR2E5) complexed with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 61 2 2
Unit cell lengths	111.952, 111.952, 147.651
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.100 - 2.300
R-factor	0.16092
Rwork	0.159
R-free	0.20611
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.935
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-2000
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.100
High resolution limit [Å]	2.300
Number of reflections	24781
<I/σ(I)>	30
Completeness [%]	99.7
Redundancy	15.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	4 M ammonium acetate