2QJH

M. jannaschii ADH synthase covalently bound to dihydroxyacetone phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	94.488, 101.865, 154.160
Unit cell angles	90.31, 86.70, 82.44

Refinement procedure

Resolution	48.280 - 2.600
R-factor	0.203
Rwork	0.203
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.280	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	131371
Completeness [%]	84.2	68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	6% 1,4-butanediol, 0.1M sodium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K