3BCW

Crystal structure of a duf861 family protein with a rmlc-like cupin fold (bb1179) from bordetella bronchiseptica rb50 at 1.60 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)	0.97939
Spacegroup name	P 21 21 21
Unit cell lengths	48.010, 57.000, 101.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.608 - 1.600
R-factor	0.169
Rwork	0.167
R-free	0.20100
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.708
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]	27.608	27.608	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.049	0.024	0.497
Number of reflections	36782	6331	7101
<I/σ(I)>	10.61	28.4	1.9
Completeness [%]	95.7	88.4	95.5
Redundancy	2.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	277	NANODROP, 0.2M MgAcetate, 20.0% PEG 3350, No Buffer pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 277K