1JMM

Crystal structure of the V-region of Streptococcus mutans antigen I/II

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-14
Detector	MARRESEARCH
Wavelength(s)	0.97881,0.97903,0.93928
Spacegroup name	P 63 2 2
Unit cell lengths	124.570, 124.570, 147.692
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.400
R-factor	0.207
Rwork	0.207
R-free	0.23500 *
Structure solution method	MAD
RMSD bond length	0.005 *
RMSD bond angle	1.320 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.066	0.159
Number of reflections	49439
<I/σ(I)>	34.5	15.7
Completeness [%]	99.3	99.3
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	4 or 10 *	15% PEG 4000, sodium acetate, 0.1M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP at 277K
1	VAPOR DIFFUSION, HANGING DROP	4.6	4 or 10 *	15% PEG 4000, sodium acetate, 0.1M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP at 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop	TCEP	1 (mM)
3	1	reservoir	PEG4000	15 (%(w/v))
4	1	reservoir	sodium acetate	0.1 (M)	pH4.6
5	1	reservoir	ammonium sulfate	0.1 (M)
6	1	reservoir	glycerol	20 (%(v/v))
7	1	reservoir	TCEP	1 (mM)