4RQT

Alcohol Dehydrogenase Crystal Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	77
Detector technology	IMAGE PLATE
Collection date	2012-05-01
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	103.604, 103.604, 168.127
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.505 - 2.300
R-factor	0.1648
Rwork	0.162
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fzw
RMSD bond length	0.005
RMSD bond angle	0.838
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.076	0.513
Number of reflections	24387
<I/σ(I)>		5.8
Completeness [%]	99.9	99.9
Redundancy	12.2	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.9	295	2.0M ammonium sulfate, 0.1M acetate pH5.9, 1% glycerol, EVAPORATION, temperature 295K