1KBW

CRYSTAL STRUCTURE OF THE SOLUBLE DOMAIN OF ANIA FROM NEISSERIA GONORRHOEAE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	DIFFRACTOMETER
Collection date	1999-05-15
Detector	WEISSENBERG
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	66.230, 99.550, 103.710
Unit cell angles	83.55, 73.70, 73.01

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.211
Rwork	0.211
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010 *
RMSD bond angle	2.262
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.550
High resolution limit [Å]	2.400	2.400
Rmerge	0.073	0.223 *
Number of reflections	76914	11789 *
<I/σ(I)>	6.96	2.5
Completeness [%]	80.7	74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	22 *	1.7 M (NH4)2SO4, 0.2 M LiSO4 and 0.1 M CAPS, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.7 (M)
2	1	reservoir		0.2 (M)
3	1	reservoir	CAPS	0.1 (M)	pH10.5
4	1	drop	protein	15 (mg/ml)
5	1	drop	Tris	10 (mM)	pH7.0