2EEZ

Crystal structure of alanine dehydrogenase from themus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	180
Detector technology	CCD
Collection date	2006-10-08
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	133.940, 133.240, 147.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.950 - 2.710
R-factor	0.22
Rwork	0.220
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1say
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4 ((MOLREP))
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.096	0.361
Number of reflections	71336
Completeness [%]	99.9	100
Redundancy	6.3	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	1M 1,6 hexanediol, 0.1M Na acetate, 5mM Cobalt chloride, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K