3QE3

Sheep liver sorbitol dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2010-01-01
Detector	RIGAKU SATURN 944+
Spacegroup name	I 2 2 2
Unit cell lengths	67.749, 85.881, 119.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.002 - 1.900
R-factor	0.1945
Rwork	0.192
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pl8
RMSD bond length	0.008
RMSD bond angle	1.077
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.064	0.508
Number of reflections	27863
<I/σ(I)>	26	3.4
Completeness [%]	99.6	99.8
Redundancy	2.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LASER-INDUCED NUCLEATION, SITTING DROP	7	294	0.2 M lithium acetate dyhydrate, 20% PEG3350, pH 7.0, LASER-INDUCED NUCLEATION, SITTING DROP, temperature 294.0K