3HJA

Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Borrelia burgdorferi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03322
Spacegroup name	P 21 21 21
Unit cell lengths	91.080, 122.330, 143.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.156
Rwork	0.154
R-free	0.19100
Structure solution method	PDB entry 3CMC
RMSD bond length	0.011
RMSD bond angle	1.326
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.128	0.608
Number of reflections	82007	5995
<I/σ(I)>	15.38	4.3
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	JCSG+ sparse matrix screen condition f2: 0.1 M Na citrate pH 5.0, 3.2 M ammonium sulfate, 30 mg/mL protein, crystal tracking ID 202701f2, VAPOR DIFFUSION, SITTING DROP, temperature 289K