3BJQ

CRYSTAL STRUCTURE OF A PHAGE-RELATED PROTEIN (BB3626) FROM BORDETELLA BRONCHISEPTICA RB50 AT 2.05 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.91840
Spacegroup name	P 1 21 1
Unit cell lengths	93.390, 188.320, 105.150
Unit cell angles	90.00, 106.60, 90.00

Refinement procedure

Resolution	49.147 - 2.050
R-factor	0.186
Rwork	0.186
R-free	0.22700
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.399
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]	49.147	49.147	2.080
High resolution limit [Å]	2.050	4.470	2.050
Rmerge	0.091	0.046	0.847
Number of reflections	216795	21105	9184
<I/σ(I)>	11.24	34.1	1.7
Completeness [%]	99.7	99.7	99.3
Redundancy	5.49		3.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.79	277	NANODROP, 25.1% PEG 200, 5.0% PEG 3000, 0.1M MES pH 5.79, VAPOR DIFFUSION, SITTING DROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP	6	277	NANODROP, 30.0% PEG 200, 5.0% PEG 3000, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K