1SQ1

Crystal Structure of the Chorismate Synthase from Campylobacter jejuni, Northeast Structural Genomics Target BR19

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97914
Spacegroup name	I 41 2 2
Unit cell lengths	73.600, 73.600, 338.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.600 - 2.800
R-factor	0.224
Rwork	0.224
R-free	0.27900
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.061	0.188
Number of reflections	21612
<I/σ(I)>	22.4	6
Completeness [%]	98.9	98.3
Redundancy	6.6	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Protein solution: 10mM Tris (pH 7.5), 5mM DTT, 100mM NaCl. Well solution: 50mM NaAcetate (pH 4.6), 1M ammonium sulfate, 10mM DTT, 25mM octanoylsucrose, VAPOR DIFFUSION, HANGING DROP, temperature 277K