6C43

2.9 Angstrom Resolution Crystal Structure of Gamma-Aminobutyraldehyde Dehydrogenase from Salmonella typhimurium.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	81.891, 87.800, 145.070
Unit cell angles	82.76, 77.91, 72.86

Refinement procedure

Resolution	29.730 - 2.900
R-factor	0.19016
Rwork	0.189
R-free	0.21914
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wnd
RMSD bond length	0.007
RMSD bond angle	1.486
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.066	0.416
Rmeas	0.094	0.589
Rpim	0.066	0.416
Number of reflections	82131	4064
<I/σ(I)>	11.7	1.9
Completeness [%]	98.7	98.2
Redundancy	2	2
CC(1/2)		0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Protein: 7.4 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen: Classics II (D7), 0.1M Bis-Tris (pH=6.5), 25% (w/v) PEG 3350;