6BEB
Crystal structure of VACV D13 in complex with Rifamycin SV
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-15 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000020 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 188.190, 188.190, 260.170 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.300 - 2.550 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 3SAM |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.300 | 46.300 | 2.620 |
High resolution limit [Å] | 2.550 | 11.400 | 2.550 |
Rmerge | 0.097 | 0.026 | 1.350 |
Rmeas | 0.099 | 0.027 | 1.390 |
Number of reflections | 88508 | 1144 | 6359 |
<I/σ(I)> | 28.66 | 97.09 | 2.35 |
Completeness [%] | 99.9 | 97.9 | 98.8 |
Redundancy | 19.847 | 17.791 | 17.653 |
CC(1/2) | 1.000 | 1.000 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 1.7 - 2.2 M sodium formate and 0.1 M citric acid |