1H3D

STRUCTURE OF THE E.COLI ATP-PHOSPHORIBOSYLTRANSFERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-15
Detector	ADSC CCD
Spacegroup name	H 3 2
Unit cell lengths	133.645, 133.645, 114.118
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	81.650 - 2.700
R-factor	0.2263
Rwork	0.222
R-free	0.27700 *
Structure solution method	MAD
RMSD bond length	0.017 *
RMSD bond angle	1.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.650	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.059	0.796
Number of reflections	10860
<I/σ(I)>	18	3.1
Completeness [%]	99.5	100
Redundancy	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.6	293 *	Lohkamp, B., (2000) Acta Crystallogr., D56, 1488. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium tartrate	1.3 (M)
2	1	reservoir		50-200 (mM)
3	1	reservoir	citrate	100 (mM)	pH5.6
4	1	reservoir	AMP	2 (mM)
5	1	drop	protein	10 (mg/ml)