5D9J
2009 H1N1 PA endonuclease mutant F105S 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 | 2014-08-09 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.585, 60.585, 95.980 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.410 - 1.850 |
| R-factor | 0.1851 |
| Rwork | 0.183 |
| R-free | 0.22950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e5e |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.615 |
| 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] | 40.000 | 40.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.980 | 1.850 |
| Rmerge | 0.063 | 0.038 | 0.883 |
| Rmeas | 0.065 | 0.039 | 0.912 |
| Rpim | 0.015 | 0.009 | 0.226 |
| Total number of observations | 335403 | ||
| Number of reflections | 17865 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 18.8 | 17.9 | 15.7 |
| CC(1/2) | 0.999 | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.8 M succinic acid, pH 7.0, 5 mM magnesium chloride, 5 mM manganese chloride |
