1R52

Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 1
Unit cell lengths	57.816, 75.599, 91.327
Unit cell angles	114.44, 108.43, 89.98

Refinement procedure

Resolution	29.700 * - 2.890
R-factor	0.18981
Rwork	0.188
R-free	0.22400 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.460
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.900 *
Rmerge	0.040	0.300 *
Total number of observations	110781 *
Number of reflections	26514 *
<I/σ(I)>	21.5
Completeness [%]	90.0	62.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Na-citrate, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	reservoir	sodium cirtate	0.7 (M)
3	1	reservoir	HEPES	0.1 (M)	pH7.5