5XTK

Crystal structure of Xanthine-guanine phosphoribosyltransferase from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.074
Spacegroup name	P 43 2 2
Unit cell lengths	66.557, 66.557, 165.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.560 - 1.740
R-factor	0.16773
Rwork	0.166
R-free	0.19654
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nul
RMSD bond length	0.017
RMSD bond angle	1.840
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.560	66.530	1.770
High resolution limit [Å]	1.740	4.720	1.740
Rmerge	0.067	0.032	0.584
Rmeas	0.069	0.033	0.614
Rpim	0.018	0.009	0.186
Number of reflections	39181		1893
<I/σ(I)>	10.6		3.74
Completeness [%]	99.9	99.6	98.8
Redundancy	14.4	14.3	10.5
CC(1/2)	0.987	0.999	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2M Lithium sulphate, 25% PEG 3350, 0.1M HEPES pH 7.5