4XZN

Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.91907
Spacegroup name	P 31
Unit cell lengths	79.914, 79.914, 50.625
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.604 - 1.700
R-factor	0.1971
Rwork	0.196
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zua
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge		0.322
Number of reflections	37876
<I/σ(I)>	14.51	3.36
Completeness [%]	93.9	94.3
Redundancy	3.4	3.5

Crystallization Conditions

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