4XZM

Crystal structure of the methylated wild-type 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	2011-03-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92020
Spacegroup name	P 31
Unit cell lengths	79.435, 79.435, 49.796
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.396 - 1.750
R-factor	0.2054
Rwork	0.203
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zua
RMSD bond length	0.008
RMSD bond angle	1.266
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	1.810
High resolution limit [Å]	1.750	1.750
Rmerge		0.375
Number of reflections	35411
<I/σ(I)>	16.64	2.97
Completeness [%]	99.0	100
Redundancy	3.2	3

Crystallization Conditions

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