5D42
2009 H1N1 PA endonuclease mutant F105S in complex with dTMP
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 | 2015-08-04 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 74.084, 74.084, 130.312 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.1852 |
| Rwork | 0.182 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d2o |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.218 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.067 | 0.036 | 0.893 |
| Rmeas | 0.069 | 0.038 | 0.931 |
| Rpim | 0.018 | 0.010 | 0.255 |
| Total number of observations | 205273 | ||
| Number of reflections | 14714 | ||
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 98.7 | 97.4 | 92.1 |
| Redundancy | 14 | 13.1 | 11.6 |
| CC(1/2) | 0.999 | 0.759 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M magnesium chloride, 2 mM manganese chloride, 0.1 M Tris, pH 8.5, 30% w/v PEG4000 |
