3E18

CRYSTAL STRUCTURE OF NAD-BINDING PROTEIN FROM Listeria innocua

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-23
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	91.083, 91.555, 96.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.950
R-factor	0.18832
Rwork	0.187
R-free	0.23656
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.308
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.093	0.710
Number of reflections	59448
<I/σ(I)>	6.8	1.5
Completeness [%]	99.9	98.8
Redundancy	6.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	294	100MM BIS-TRIS, PH 6.5, 25% PEG3350, 200MM MAGNESIUM CHLORIDE HEXAHYDRATE, 10% GLYCEROL, VAPOR DIFFUS SITTING DROP, TEMPERATURE 294K, pH 6.50