3L0D

Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Bartonella henselae with bound NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Detector technology	CCD
Collection date	2009-12-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 31 2 1
Unit cell lengths	91.776, 91.776, 161.402
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.590 - 2.500
R-factor	0.204
Rwork	0.202
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3doc
RMSD bond length	0.013
RMSD bond angle	1.454
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.082	0.590
Number of reflections	26594
<I/σ(I)>	16.1	2.39
Completeness [%]	94.8	96.2
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	Hampton Research CSHT condition H4, 0.1 M Tris pH 8.5, 25% v/v tert-butanol, 23.7 mg/mL protein, crystal tracking ID 206078h4, VAPOR DIFFUSION, SITTING DROP, temperature 289K