4ED9

Crystal structure of a CAIB/BAIF family protein from Brucella suis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-09
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	93.400, 62.540, 70.310
Unit cell angles	90.00, 117.81, 90.00

Refinement procedure

Resolution	62.190 - 1.950
R-factor	0.174
Rwork	0.172
R-free	0.21700
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.385
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.190		2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.063	0.022	0.217
Number of reflections	25803	314	1785
<I/σ(I)>	26.86	70.6	6.2
Completeness [%]	98.0	96.9	92.3
Redundancy	8.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	290	Internal tracking number 230921. JCSG Core Suite III well A4. 0.1M CHES Buffer pH 9.5, 30.0% w/v PEG3,000, 20% ethylene glycol. BrsuA.18159.a.A1 pw34608 40mg/ml., vapor diffusion, sitting drop, temperature 290K