5DBS
2009 H1N1 PA endonuclease mutant E119D 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) | 1.0 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 90.390, 90.390, 133.293 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.110 |
| R-factor | 0.2102 |
| Rwork | 0.208 |
| R-free | 0.24090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5czn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.614 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.106 |
| Rmerge | 0.107 | 0.066 | 0.728 |
| Rmeas | 0.112 | 0.069 | 0.781 |
| Rpim | 0.031 | 0.019 | 0.275 |
| Total number of observations | 200012 | ||
| Number of reflections | 16301 | ||
| <I/σ(I)> | 12.3 | ||
| Completeness [%] | 99.7 | 99 | 98.2 |
| Redundancy | 12.3 | 12.9 | 6.4 |
| CC(1/2) | 0.998 | 0.907 |
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 |
