1YNP

aldo-keto reductase AKR11C1 from Bacillus halodurans (apo form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-04
Detector	MARRESEARCH
Wavelength(s)	0.97784, 1.3783
Spacegroup name	P 21 21 21
Unit cell lengths	74.669, 86.566, 105.427
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.420 - 1.250
R-factor	0.17211
Rwork	0.170
R-free	0.20584
Structure solution method	SIRAS
RMSD bond length	0.016
RMSD bond angle	1.691
Data scaling software	XDS
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.710	1.300
High resolution limit [Å]	1.250	1.250
Rmerge	0.087	0.506
Number of reflections	178042
<I/σ(I)>	10	2.7
Completeness [%]	94.4	83.4
Redundancy	5.7	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	(NH4)2SO4, Li2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	(NH4)2SO4, Li2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	(NH4)2SO4, Li2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K