1GVE

Aflatoxin aldehyde reductase (AKR7A1) from Rat Liver

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-08-15
Detector	MAR scanner 345 mm plate
Spacegroup name	C 1 2 1
Unit cell lengths	125.540, 64.680, 112.840
Unit cell angles	90.00, 91.03, 90.00

Refinement procedure

Resolution	30.000 * - 1.380
R-factor	0.159
Rwork	0.158
R-free	0.17800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1exb
RMSD bond length	0.023 *
RMSD bond angle	1.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.430
High resolution limit [Å]	1.380	1.380
Rmerge	0.046	0.467
Number of reflections	158665 *
<I/σ(I)>	24	1.2
Completeness [%]	85.4	42.8 *
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	20 *	SITTING DROP METHOD WITH 1MICROLITRE PROTEIN (6 MG/ML) AND 1MICROLITRE WELL 20% PEG8K, 0.2M LITHIUM SULPHATE, 0.1M SODIUM CITRATE PH 5.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%)
2	1	reservoir	lithium sulfate	0.2 (M)
3	1	reservoir	sodium citrate	0.1 (M)	pH5.6