1G9T

CRYSTAL STRUCTURE OF E.COLI HPRT-GMP COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	1999-12-20
Detector	ADSC QUANTUM 1
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	84.140, 84.140, 167.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.199
Rwork	0.199
R-free	0.24400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	T.foetus HPRT
RMSD bond length	0.007
RMSD bond angle	1.380 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.072	0.294
Total number of observations	45289 *
Number of reflections	15697 *
<I/σ(I)>	9.1	4.1
Completeness [%]	88.9	89.8
Redundancy	2.9	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	20 *	Hepes, sodium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	18 (mg/ml)	0.88mM in terms of subumits
2	1	drop	Tris-HCl	0.05 (M)
3	1	drop		0.01 (M)
4	1	drop	dithiothreitol	1 (mM)	pH7.4
5	1	reservoir	HEPES	0.1 (M)	pH7.5
6	1	reservoir	sodium citrate	0.1 (M)