1VLL

Crystal structure of alanine dehydrogenase (AF1665) from Archaeoglobus fulgidus at 2.80 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-04
Detector	ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	56.702, 92.437, 131.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.090 - 2.800
R-factor	0.21926
Rwork	0.217
R-free	0.25390
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.312
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.700	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.057	0.362
Number of reflections	17713
<I/σ(I)>	14.8	2.3
Completeness [%]	99.9	99.8
Redundancy	3.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		293	0.05M Acetic Acid, 0.052M Citrate_Na3, 29% PEG MME 550 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		293	0.05M Acetic Acid, 0.052M Citrate_Na3, 29% PEG MME 550 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		293	0.05M Acetic Acid, 0.052M Citrate_Na3, 29% PEG MME 550 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K