1FW8

CIRCULARLY PERMUTED PHOSPHOGLYCERATE KINASE FROM YEAST: PGK P72

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE D41A
Synchrotron site	LURE
Beamline	D41A
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1997-09-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	85.740, 104.770, 44.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.300
Rwork	0.211
R-free	0.32400
RMSD bond length	0.011
RMSD bond angle	24.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.990	2.800
High resolution limit [Å]	2.300	2.300
Rmerge	0.079	0.322 *
Total number of observations	64243 *
Number of reflections	18306 *
Completeness [%]	99.8	99.4
Redundancy	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	ammonium sulfate, sodium pyrophosphate, dioxan, glycerol for cryogenic conditions, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.0-2.6 (M)
2	1	drop	protein	7-10 (mg/ml)