1EM7

HELIX VARIANT OF THE B1 DOMAIN FROM STREPTOCOCCAL PROTEIN G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-01-10
Detector	RIGAKU RAXIS IV
Spacegroup name	P 4 21 2
Unit cell lengths	52.610, 52.610, 44.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 2.000
R-factor	0.235 *
Rwork	0.235
R-free	0.26700
RMSD bond length	0.016 *
RMSD bond angle	1.740 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000 *	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.041	0.091
Total number of observations	81792 *
Number of reflections	4020 *
<I/σ(I)>	40
Completeness [%]	95.0	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	4 *	100 mM sodium acetate, 30% polyethylene glycol momomethyl Ether 2000, 200 mM ammonium sulfate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	100 (mM)	pH4.6
2	1	reservoir	PEG2000 MME	30 (%)
3	1	reservoir	ammonium sulfate	200 (mM)