6VIV
The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986192
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 89.706, 89.706, 133.118 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.410 - 2.230 |
| R-factor | 0.2189 |
| Rwork | 0.218 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vpt |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.390 | 2.300 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.066 | 1.207 |
| Rpim | 0.024 | 0.414 |
| Number of reflections | 13588 | 1233 |
| <I/σ(I)> | 15.5 | 2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 8.7 | |
| CC(1/2) | 0.999 | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.1 M HEPES PH 7.8, 1 M AMMONIUM, SULFATE, 10 MM MNCL2, 10 MM MGCL2, 0.5% PVP K15 |
