9OVI

Crystal Structure of SH3-like_bac-type domain (79-145) of Conserved domain protein GBAA_2967 from Bacillus anthracis Ames ancestor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	36.281, 50.276, 84.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.420 - 1.500
R-factor	0.16548
Rwork	0.164
R-free	0.18385
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.203
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.075	0.859
Rmeas	0.081	0.949
Rpim	0.030	0.394
Number of reflections	25567	1153
<I/σ(I)>	24.1	2.1
Completeness [%]	99.4	91.3
Redundancy	7	5.5
CC(1/2)	0.997	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	Protein: 6.0 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen: JCSG+ (A5), 0.2M Magnesium formate, 20% (w/v) PEG3350; Cryo: Reservoir