1EKQ

CRYSTAL STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE IN R3 SPACE GROUP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	110
Detector technology	CCD
Collection date	1996-04-14
Detector	ADSC QUANTUM 1
Spacegroup name	H 3
Unit cell lengths	77.500, 77.500, 230.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.500
Rwork	0.216
R-free	0.25100
RMSD bond length	0.009
RMSD bond angle	23.340 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.570
High resolution limit [Å]	1.500	1.500
Rmerge	0.071	0.158
Total number of observations	264643 *
Number of reflections	73978
<I/σ(I)>	15
Completeness [%]	89.0	55
Redundancy	3.6	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	Tris-HCl	100 (mM)
3	1	reservoir	ammonium sulfate	100 (mM)
4	1	reservoir	PEG4000	30 (%(w/v))