2RBD

CRYSTAL STRUCTURE OF A PUTATIVE SPORE COAT PROTEIN (BH2358) FROM BACILLUS HALODURANS C-125 AT 1.54 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	2007-07-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97898, 0.97922
Spacegroup name	I 21 21 21
Unit cell lengths	43.082, 74.345, 235.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.809 - 1.540
R-factor	0.16
Rwork	0.159
R-free	0.18800
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.452
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.809	39.809	1.620
High resolution limit [Å]	1.540	4.870	1.540
Rmerge	0.075	0.025	0.680
Total number of observations		10813	49670
Number of reflections	56674
<I/σ(I)>	9.3	23.1	1.1
Completeness [%]	100.0	99.7	99.9
Redundancy	6.1	5.5	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	277	NANODROP, 0.2M Li3 Citrate, 20.0% PEG 3350, No Buffer pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K