4P3O
Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1271 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.449, 107.617, 109.209 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.719 - 2.505 |
R-factor | 0.1997 |
Rwork | 0.198 |
R-free | 0.22370 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.927 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.104 | 0.046 | 0.511 |
Total number of observations | 213704 | ||
Number of reflections | 36592 | ||
<I/σ(I)> | 5.9 | ||
Completeness [%] | 93.9 | 97.7 | 89.3 |
Redundancy | 5.8 | 6.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG400, MES |