1E3L

P47H mutant of mouse class II alcohol dehydrogenase complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	110
Collection date	1999-01-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	79.156, 80.639, 102.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.500
R-factor	0.1973
Rwork	0.197
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cdo
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.9)
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.550
High resolution limit [Å]	2.500	2.500
Rmerge	0.068 *	0.278 *
Total number of observations	68302 *
Number of reflections	22033
<I/σ(I)>	8.2	3.1
Completeness [%]	99.0	94.7 *
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.3		pH 8.30

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Bicine	0.1 (M)
2	1	reservoir	NADH	1 (mM)
3	1	reservoir	PEG6000	14.0 (%)
4	1	drop	protein	11 (mg/ml)