4HBK

Structure of the Aldose Reductase from Schistosoma japonicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97906
Spacegroup name	P 21 21 2
Unit cell lengths	67.486, 90.990, 54.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.714 - 2.200
R-factor	0.1786
Rwork	0.177
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2alr
RMSD bond length	0.007
RMSD bond angle	1.023
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_353))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.200
Number of reflections	16851
Completeness [%]	95.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	291	0.2 M Sodium fluoride, 30% w/v Polyethylene glycol 3,350, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K