2INZ

Crystal Structure of Aldose Reductase complexed with 2-Hydroxyphenylacetic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	2000-03-08
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	50.095, 66.899, 92.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.950
R-factor	0.228
Rwork	0.228
R-free	0.25900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1az1
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.081	0.153
Number of reflections	23020
<I/σ(I)>	28	24
Completeness [%]	99.0	97.1
Redundancy	9.02	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5	277	20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.00
1		5	277	20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.00
1		5	277	20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.00
1		5	277	20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.00