1PWM

Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat

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	2001-06-30
Detector	CUSTOM-MADE
Wavelength(s)	0.9000
Spacegroup name	P 1 21 1
Unit cell lengths	49.428, 67.042, 47.317
Unit cell angles	90.00, 92.09, 90.00

Refinement procedure

Resolution	10.000 - 0.920
R-factor	0.1042
Rwork	0.104
R-free	0.12800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ALDOSE REDUCTASE HOLOENZYME
RMSD bond length	0.013 *
RMSD bond angle	1.950 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	0.960
High resolution limit [Å]	0.920	0.920
Rmerge	0.036	0.159
Number of reflections	193488
<I/σ(I)>	13.45	5.37
Completeness [%]	91.9	83.7
Redundancy	3.20 *	2.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	PEG 6000, ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG6000	15 (%(w/v))
2	1	drop	ammonium citrate	50 (mM)	pH5.
3	1	reservoir	PEG6000	20 (%)
4	1	reservoir	ammonium citrate	120 (mM)