1QK3

TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE GMP COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1996-06-15
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	65.453, 90.842, 80.256
Unit cell angles	90.00, 92.53, 90.00

Refinement procedure

Resolution	12.500 - 1.650
Rwork	0.202
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hmp SUBUNIT A WITHOUT LOOPS WATERS OR GMP
RMSD bond length	0.014
RMSD bond angle	0.030
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.500	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.053 *	0.459 *
Total number of observations	302104 *
Number of reflections	108535
<I/σ(I)>	9.4	1.7
Completeness [%]	96.4	85.3
Redundancy	2.8	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5	4 *	15% PEG 8000, 100 MM KPO4 (PH 5-6), 0.25% BETA-OCTYLGLUCOPYRANOSIDE, 1 MM GMP, 277 K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	15-20 (%)
2	1	reservoir	potassium phosphate	100 (mM)
3	1	reservoir	octyl brta-D-glucopyranoside	0.25 (%)
4	1	drop	protein	10-20 (mg/ml)
5	1	drop	GMP	1 (mM)