5LIK

Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK181

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-05
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 31
Unit cell lengths	78.661, 78.661, 48.221
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.748 - 2.050
R-factor	0.203
Rwork	0.201
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zua
RMSD bond length	0.019
RMSD bond angle	1.447
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	20884
<I/σ(I)>	24.58	3.17
Completeness [%]	99.7	98.5
Redundancy	5	3.9

Crystallization Conditions

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