5CGV
2009 H1N1 PA endonuclease in complex with L-742,001
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 | 2014-06-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 73.899, 73.899, 127.457 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.170 |
| R-factor | 0.20242 |
| Rwork | 0.199 |
| R-free | 0.28166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e5e |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.108 |
| 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 | 2.250 |
| High resolution limit [Å] | 2.170 | 4.670 | 2.170 |
| Rmerge | 0.128 | 0.048 | 0.893 |
| Rmeas | 0.133 | 0.050 | 0.952 |
| Rpim | 0.037 | 0.014 | 0.319 |
| Total number of observations | 146974 | ||
| Number of reflections | 11511 | ||
| <I/σ(I)> | 6.6 | ||
| Completeness [%] | 99.8 | 99.9 | 98.3 |
| Redundancy | 12.8 | 12.1 | 8.1 |
| CC(1/2) | 0.999 | 0.763 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M MgCl2, 5mM MnCl2, 0.1 M Tris pH 8.5, 30%(w/v) PEG 4000 |
