2BE3

Structure of a GTP Pyrophosphokinase Family Protein from Streptococcus pneumoniae

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]	105
Detector technology	CCD
Collection date	2005-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 61 2 2
Unit cell lengths	104.843, 104.843, 170.562
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.000 - 2.400
R-factor	0.18487
Rwork	0.182
R-free	0.23423
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.464
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.462
High resolution limit [Å]	2.400	2.400
Number of reflections	21127
Completeness [%]	99.5	97.64

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	50mg/ml protein, 0.2M Na Malonate, 20% PEG3350, 25% Glycerol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K