3H41

CRYSTAL STRUCTURE OF A NLPC/P60 FAMILY PROTEIN (BCE_2878) FROM BACILLUS CEREUS ATCC 10987 AT 1.79 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-27
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97860,0.91837,0.97985
Spacegroup name	C 1 2 1
Unit cell lengths	95.205, 59.373, 61.333
Unit cell angles	90.00, 103.27, 90.00

Refinement procedure

Resolution	41.523 - 1.790
R-factor	0.165
Rwork	0.163
R-free	0.19700
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.499
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.523	41.523	1.840
High resolution limit [Å]	1.790	3.830	1.780
Rmerge	0.111	0.042	0.771
Number of reflections	31085	3253	2578
<I/σ(I)>	9.59	26.5	1.8
Completeness [%]	97.1	98.4	86.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	0.2000M NaCl, 50.0000% PEG-200, 0.1M Phosphate Citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K