5CL0
2009 H1N1 PA endonuclease in complex with rUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 73.946, 73.946, 128.584 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.220 |
| R-factor | 0.1938 |
| Rwork | 0.192 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ccy |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.483 |
| 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 | 2.300 |
| High resolution limit [Å] | 2.220 | 4.780 | 2.220 |
| Rmerge | 0.098 | 0.035 | 0.981 |
| Rmeas | 0.094 | 0.037 | |
| Rpim | 0.027 | 0.010 | 0.264 |
| Total number of observations | 153418 | ||
| Number of reflections | 10855 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.8 | 98.7 | 99.9 |
| Redundancy | 14.1 | 12.8 | 14 |
| CC(1/2) | 1.000 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M magnesium chloride, 5 mM manganese chloride, 0.1 M Tris, pH 8.5, 30% w/v PEG4000 |
