1C8B

CRYSTAL STRUCTURE OF A NOVEL GERMINATION PROTEASE FROM SPORES OF BACILLUS MEGATERIUM: STRUCTURAL REARRANGEMENTS AND ZYMOGEN ACTIVATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Detector	BRANDEIS
Spacegroup name	P 43 21 2
Unit cell lengths	77.410, 77.410, 313.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 3.000
R-factor	0.308 *
Rwork	0.308
R-free	0.33000
RMSD bond length	0.013
RMSD bond angle	1.810 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.103	0.508
Total number of observations	120136 *
Number of reflections	18965
Completeness [%]	94.1	87.7
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4	293	SODIUM CITRATE, SODIUM HEPES, pH 7.4, EVAPORATION, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	1.6 (M)
2	1	reservoir	sodium HEPES	0.1 (M)	pH7.3
3	1	reservoir	EDTA	20 (mM)