3HRH

Crystal Structure of Antigen 85C and Glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	67.777, 80.278, 136.835
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.440 - 2.300
R-factor	0.19
Rwork	0.190
R-free	0.22100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1dqy
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	CNS (1.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.440
High resolution limit [Å]	2.200
<I/σ(I)>	7.6
Completeness [%]	99.7
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	0.1 M Na Acetate and 15% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K