4RQA

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	77
Detector technology	CCD
Collection date	2013-07-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790, 1.075
Spacegroup name	I 2 2 2
Unit cell lengths	66.158, 71.919, 103.036
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.480
R-factor	0.1519
Rwork	0.150
R-free	0.19420
Structure solution method	SAD
RMSD bond length	0.025
RMSD bond angle	2.344
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL2Map
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.510
High resolution limit [Å]	1.480	4.010	1.480
Rmerge	0.073	0.049	0.940
Number of reflections	40663
<I/σ(I)>	14.8
Completeness [%]	98.3	82.8	100
Redundancy	7.8	6.8	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M Sodium Acetate, 3.5 M Sodium Formate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K