5LIY

Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK204

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-14
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 31
Unit cell lengths	79.458, 79.458, 49.418
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.237 - 2.050
R-factor	0.1834
Rwork	0.181
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zua
RMSD bond length	0.013
RMSD bond angle	1.806
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Number of reflections	21542
<I/σ(I)>	9.95	1.92
Completeness [%]	90.6	83.9
Redundancy	2.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	30% PEG 6000, 100 mM sodium cacodylate