1R5Y

Crystal Structure of TGT in complex with 2,6-Diamino-3H-Quinazolin-4-one Crystallized at PH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Collection date	2002-10-22
Wavelength(s)	0.91
Spacegroup name	C 1 2 1
Unit cell lengths	91.128, 65.589, 69.993
Unit cell angles	90.00, 96.28, 90.00

Refinement procedure

Resolution	10.000 - 1.200
R-factor	0.1721
Rwork	0.172
R-free	0.19850
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1pud
RMSD bond length	0.012
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.220
High resolution limit [Å]	1.200	1.200
Number of reflections	197198
Completeness [%]	94.6	92.6
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	PEG 8000, TRIS, DMSO, DTT, pH 5.50, VAPOR DIFFUSION, HANGING DROP, temperature 295K