5N95
Tetragonal structure of mutant V173I of 3D polymerase from Foot-and-Mouth Disease Virus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 92.537, 92.537, 120.441 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.270 - 2.600 |
| R-factor | 0.23029 |
| Rwork | 0.228 |
| R-free | 0.27083 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u09 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.035 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC (rigid body refinement) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.270 | 2.730 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.086 | |
| Number of reflections | 16540 | 2175 |
| <I/σ(I)> | 12.2 | 0.765 |
| Completeness [%] | 99.2 | 96.3 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 36% PEG4000 0.2M Ammonium acetate 0.1M MES pH6.0 4% gamma-butyrolactone |
