9THJ
Crystal structure of H5N1 influenza polymerase PB2 domain in complex with compound 3
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 61.030, 61.030, 71.289 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.510 - 0.910 |
| R-factor | 0.1491 |
| Rwork | 0.148 |
| R-free | 0.17180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.821 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (dev_5592+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.460 | 0.950 |
| High resolution limit [Å] | 0.910 | 0.910 |
| Rpim | 0.036 | |
| Number of reflections | 107498 | 15592 |
| <I/σ(I)> | 22.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 9.7 | |
| CC(1/2) | 1.000 | 0.450 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.200 M Ammonium Sulfate, 0.100 M 2,2-Bis(hydroxymethyl)-2,2',2"-nitrilotriethanol, 30.000 %w/v PEG 3350 |
