1NAW

ENOLPYRUVYL TRANSFERASE

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1995-11-27
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	86.900, 155.900, 83.850
Unit cell angles	90.00, 91.65, 90.00

Refinement procedure

Resolution	10.000 - 2.000
Rwork	0.197
R-free	0.27000
Structure solution method	MIRAS
RMSD bond length	0.016
RMSD bond angle	0.052
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.053	0.290
Total number of observations	744941 *
Number of reflections	103189
Completeness [%]	99.8	98.7
Redundancy	7.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4		CRYSTALS WERE GROWN BY THE HANGING DROP VAPOR DIFFUSION METHOD USING PLASTIC TISSUE CULTURE PLATES. 0.4 M SODIUM/POTASSIUM PHOSPHATE BUFFER (PH 6.4) CONTAINING 40 MM CYCLOHEXYLAMMONIUM PHOSPHATE WERE EQUILIBRATED AGAINST 1 ML 0.8 M SODIUM/POTASSIUM PHOSPHATE BUFFER (PH 6.4). CRYSTALLIZATION USUALLY OCCURRED WITHIN 3 DAYS AND THE CRYSTALS REACHED THEIR MAXIMUM SIZE OF 0.5 X 0.5 X 0.1 MM==3== AFTER 5 DAYS AT ROOM TEMPERATURE. (SEE REFERENCE 1 FOR DETAILS.), vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium/potassium phosphate	0.8 (M)
2	1	drop	ctclohexylammonium phosphate	40 (mM)
3	1	reservoir	sodium/potassium phosphate	0.8 (M)