4K9D

X-ray crystal structure of a Glyceraldehyde 3-phosphate dehydrogenase from Brugia malayi bound to the co-factor NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.13
Spacegroup name	P 1 21 1
Unit cell lengths	87.760, 176.990, 94.250
Unit cell angles	90.00, 101.12, 90.00

Refinement procedure

Resolution	19.868 - 2.100
R-factor	0.1868
Rwork	0.184
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j0x
RMSD bond length	0.008
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1255)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.080	0.022	0.553
Number of reflections	159461	1532	11989
<I/σ(I)>	10.64	36.28	2.14
Completeness [%]	97.3	81.2	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	MCSG1 A7: 0.2 M magnesium chloride, 0.1 M BIS-TRIS pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K