5DEB
2009 H1N1 PA endonuclease mutant E119D in complex with rUMP
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 | CCD |
| Collection date | 2014-10-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00522 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 90.057, 90.057, 134.337 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.210 - 2.140 |
| R-factor | 0.2083 |
| Rwork | 0.206 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5czn |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.741 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.066 | |
| Number of reflections | 17236 | |
| <I/σ(I)> | 36.82 | |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 11.9 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1 M HEPES, pH 7.5, 1.0 M ammonium sulfate, 2% w/v PEG400, 50 mM magnesium chloride, 50 mM manganese chloride, 200 mM rUMP |
