4ECD

2.5 Angstrom Resolution Crystal Structure of Bifidobacterium longum Chorismate Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97850
Spacegroup name	P 42 21 2
Unit cell lengths	123.944, 123.944, 97.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.540 - 2.500
R-factor	0.19979
Rwork	0.197
R-free	0.25347
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g85
RMSD bond length	0.014
RMSD bond angle	1.665
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.075	0.484
Number of reflections	26509
<I/σ(I)>	19	3.1
Completeness [%]	97.7	99.9
Redundancy	4.7	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	Protein: 7.5 mg/ml, 0.5 M sodium chloride, 0.01 M Tris-HCl (PH 8.3). Screen: 0.2 M Sodium bromide, 0.1 M Bis-tris propane, 20% (w/v) Peg 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K