4Y2A
Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-07-08 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 74.740, 74.740, 289.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.360 - 2.900 |
| R-factor | 0.20025 |
| Rwork | 0.198 |
| R-free | 0.25049 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ddk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.712 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.400 | 3.050 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.081 | 0.415 |
| Number of reflections | 18099 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50 mM Tris pH 7.5, 24.5% (w/v) glycerol, 1.29 M ammonium sulfate. |
