5CZN
2009 H1N1 PA endonuclease mutant E119D
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 | 89.395, 89.395, 134.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.980 |
| R-factor | 0.1865 |
| Rwork | 0.185 |
| R-free | 0.21950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e5e |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.451 |
| 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 | 2.050 |
| High resolution limit [Å] | 1.980 | 4.260 | 1.980 |
| Rmerge | 0.073 | 0.035 | 0.974 |
| Rmeas | 0.072 | 0.036 | |
| Rpim | 0.014 | 0.007 | 0.233 |
| Total number of observations | 519087 | ||
| Number of reflections | 19228 | ||
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 99.7 | 100 | 96.8 |
| Redundancy | 27 | 27.4 | 16.4 |
| CC(1/2) | 1.000 | 0.808 |
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 |
