1EQM

CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-07-23
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	79.140, 52.800, 36.640
Unit cell angles	90.00, 103.43, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.1905
Rwork	0.189
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hka
RMSD bond length	0.007
RMSD bond angle	0.022
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.084	0.589
Total number of observations	83381 *
Number of reflections	23029
<I/σ(I)>	18.6	1.97
Completeness [%]	97.7	85.4
Redundancy	3.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	18-20 *	PEG 4000, Tris-HCl, acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	MgATP	5 (mM)
3	1	drop	Tris	10 (mM)
4	1	reservoir	PEG4000	30 (%)
5	1	reservoir		0.2 (M)
6	1	reservoir	Tris	0.2 (M)