3U97

1.1 Angstrom-resolution crystal structure of the Brucella abortus ribonuclease toxin, BrnT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.02
Spacegroup name	I 4
Unit cell lengths	74.420, 74.420, 29.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 1.102
R-factor	0.1407
Rwork	0.140
R-free	0.15770
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.674
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.121	1.129
High resolution limit [Å]	1.100	1.100
Number of reflections	31054
Completeness [%]	94.0	94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	287	100 mM Tris buffer, 8% PEG 6000, 150 mM NaCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 287K