3BYQ

Crystal structure of a duf1185 family protein (bb2672) from bordetella bronchiseptica rb50 at 1.70 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97912
Spacegroup name	C 2 2 21
Unit cell lengths	96.542, 133.127, 92.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.854 - 1.700
R-factor	0.139
Rwork	0.138
R-free	0.16900
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.640
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.854	29.854	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.107	0.050	0.716
Total number of observations		3477	23099
Number of reflections	65104
<I/σ(I)>	5.9	12.4	1.1
Completeness [%]	99.2	98.4	96.6
Redundancy	5	4.3	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	NANODROP, 20% PEG 8000, 0.1M CHES pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K