1DQN

CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH A TRANSITION STATE ANALOGUE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-08-22
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	56.632, 71.553, 123.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.207
Rwork	0.204
R-free	0.23400
RMSD bond length	0.007
RMSD bond angle	1.350
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.036 *	0.082 *
Total number of observations	195866 *
Number of reflections	50789
<I/σ(I)>	40.3
Completeness [%]	99.5	99.1
Redundancy	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	cocrystallized with a 1:1:1 stoichiometry of immucillin GP, 1 mM MgCl2, and 1 mM sodium pyrophosphate *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG4000	20 (%)
3	1	reservoir	2-propanol	5 (%)
4	1	reservoir	HEPES	100 (mM)