3O7M

1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor'

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	122.499, 122.499, 119.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.920 - 1.980
R-factor	0.16918
Rwork	0.167
R-free	0.20595
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h83
RMSD bond length	0.014
RMSD bond angle	1.581
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.080	0.560
Number of reflections	63787
<I/σ(I)>	31.29	5.15
Completeness [%]	100.0	100
Redundancy	13	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	protein at 7.4 mg/mL in 10 mM Tris/HCl, pH 8.3, 500 mM NaCl, 5 mM BME. Crystals grew from 2 M AmSO4 0.1 M bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K