5D8U
2009 H1N1 PA endonuclease mutant E119D in complex with L-742,001
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 | 2014-08-24 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.97921 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 89.881, 89.881, 134.148 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.290 |
| R-factor | 0.2003 |
| Rwork | 0.198 |
| R-free | 0.24080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5czn |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.371 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.370 |
| High resolution limit [Å] | 2.290 | 4.930 | 2.290 |
| Rmerge | 0.062 | 0.031 | 0.819 |
| Rmeas | 0.064 | 0.032 | 0.864 |
| Rpim | 0.018 | 0.009 | 0.267 |
| Total number of observations | 157991 | ||
| Number of reflections | 12715 | ||
| <I/σ(I)> | 10.8 | ||
| Completeness [%] | 99.6 | 100 | 95.9 |
| Redundancy | 12.4 | 11.8 | 9.6 |
| CC(1/2) | 0.999 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1 M HEPES sodium, pH 7.5, 1.0 M ammonium sulfate, 2% w/v PEG400, 50 mM magnesium chloride, 50 mM manganese chloride |
