4JIT

Crystal Structure of E. coli XGPRT in complex with (S)-3-(Guanin-9-yl)pyrrolidin-N-ylacetylphosphonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-06
Detector	ADSC QUANTUM 270
Wavelength(s)	0.95369
Spacegroup name	P 43 21 2
Unit cell lengths	94.066, 94.066, 162.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 2.800
R-factor	0.2133
Rwork	0.208
R-free	0.26420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.876
High resolution limit [Å]	2.800	2.800
Number of reflections	18634
Completeness [%]	100.0	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7		8% tacsimate, pH 7.0, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP