4LYY

Crystal structure of hypoxanthine phosphoribosyltransferase from Shewanella pealeana ATCC 700345, NYSGRC Target 029677.

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-18
Detector	RAYONIX MX225HE
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	51.514, 101.173, 73.844
Unit cell angles	90.00, 107.38, 90.00

Refinement procedure

Resolution	70.470 - 1.860
R-factor	0.1808
Rwork	0.179
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j7j
RMSD bond length	0.009
RMSD bond angle	1.458
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	101.173	101.173	1.960
High resolution limit [Å]	1.860	5.880	1.860
Rmerge		0.064	0.525
Total number of observations		11217	66526
Number of reflections	59642
<I/σ(I)>	13.5	10	1.3
Completeness [%]	98.7	87.1	98.5
Redundancy	7.5	6.5	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 M sodium chloride, 0.1 M Bis-Tris:HCl, pH 5.5, 25% PEG 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 298K