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 |