4IBK
Ebola virus VP35 bound to small molecule
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791209 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.222, 65.689, 72.831 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.898 - 1.850 |
R-factor | 0.1949 |
Rwork | 0.193 |
R-free | 0.24140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.183 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.125 | 0.093 | 0.481 |
Number of reflections | 21610 | ||
<I/σ(I)> | 7.8 | ||
Completeness [%] | 99.9 | 99.8 | 99.5 |
Redundancy | 6.9 | 6.4 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM sodium citrate, pH5.5, 15% PEG3350, 10%DMSO, VAPOR DIFFUSION, HANGING DROP, temperature 298K |