1R53

Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	57.516, 74.664, 155.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.300 * - 2.200
R-factor	0.17626
Rwork	0.174
R-free	0.22500 *
Structure solution method	SAD
RMSD bond length	0.034
RMSD bond angle	1.720 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000 *
High resolution limit [Å]	2.200
Rmerge	0.050 *	0.150 *
Total number of observations	63849 *
Number of reflections	17154 *
<I/σ(I)>	10.9
Completeness [%]	96.4 *	77.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	Na-Citrate, EDTA, DDT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	sodium cirtate	0.7 (M)
3	1	reservoir	sodium citrate	0.1 (M)	pH5.6
4	1	reservoir	EDTA	10 (mM)
5	1	reservoir	dithiothreitol	10 (mM)