2GBB

Crystal structure of secreted chorismate mutase from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	89.010, 144.090, 116.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.207
R-free	0.25800
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.857
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.09)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.113	0.082	0.469
Number of reflections	43510	4591	4106
<I/σ(I)>	8.2
Completeness [%]	99.4
Redundancy	13	13.2	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	Well solution: 1.5-1.6 M ammonium sulfate, 0.1 M citrate/phosphate buffer pH 4.2. Protein solution: 5 mg/ml in 0.025 M Tris ph 7.5, 0.0005 M EDTA, 0.0005 M DTT, 0.1 M sodium chloride. Drops: 1:1 well:protein., VAPOR DIFFUSION, HANGING DROP, temperature 298K