1XGD

Apo R268A human aldose reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	64.180, 64.180, 176.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.17
Rwork	0.168
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2acs
RMSD bond length	0.006
RMSD bond angle	0.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.062	0.134
Number of reflections	20522
<I/σ(I)>	23.8	9
Completeness [%]	0.9	79.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	277	PEG6000, AmmSO4, pH 6.0, VAPOR DIFFUSION, temperature 277K
1	VAPOR DIFFUSION	6	277	PEG6000, AmmSO4, pH 6.0, VAPOR DIFFUSION, temperature 277K