4RQB

Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (tetragonal space group)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	77
Detector technology	CCD
Collection date	2013-09-06
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	P 41 21 2
Unit cell lengths	109.244, 109.244, 100.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.450
R-factor	0.17961
Rwork	0.177
R-free	0.22074
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rqa
RMSD bond length	0.019
RMSD bond angle	2.096
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.179	0.073	0.860
Number of reflections	42955
<I/σ(I)>	6.8
Completeness [%]	99.9	99.3	99.2
Redundancy	7.8	7.9	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Sodium Cacodylate, 1.26 M Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K