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. |