5CCY
2009 H1N1 PA endonuclease in complex with dTMP
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) | 1.0000 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 73.908, 73.908, 128.282 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.010 - 2.100 |
| R-factor | 0.1747 |
| Rwork | 0.171 |
| R-free | 0.24380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e5e |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.198 |
| 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] | 64.006 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.119 | 0.036 | 0.965 |
| Rmeas | 0.121 | 0.036 | 0.982 |
| Rpim | 0.022 | 0.007 | 0.179 |
| Total number of observations | 361856 | ||
| Number of reflections | 12747 | ||
| <I/σ(I)> | 6 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 28.4 | 26.4 | 28.1 |
| CC(1/2) | 1.000 | 0.920 |
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 |
