8G41

Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS IV
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-05-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	44.060, 51.320, 92.750
Unit cell angles	91.90, 103.08, 109.89

Refinement procedure

Resolution	19.910 - 1.500
R-factor	0.15551
Rwork	0.155
R-free	0.17722
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8g2l
RMSD bond length	0.014
RMSD bond angle	1.939
Data scaling software	d*TREK (9.9.9.8L)
Phasing software	REFMAC (5.8.0267)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.910	19.900	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.031	0.023	0.170
Rmeas	0.036	0.026	0.199
Total number of observations		45049	38068
Number of reflections	107864	11527	10037
<I/σ(I)>	25	65.6	5.7
Completeness [%]	91.2
Redundancy	3.84	3.87	3.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	7	278	10 mg/ml protein in 50 mM ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfate buffer with 0.25 mM EDTA, 2 mM NAD+ and 0.1 mM 2,2,2-trifluoroetanol, crystals formed at 13 % 2-methyl-2,4-pentanediol, raised to 25% MPD before crystal pliunged into liquid N2.