5DEB
2009 H1N1 PA endonuclease mutant E119D in complex with rUMP
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 | 2014-10-26 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00522 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 90.057, 90.057, 134.337 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.210 - 2.140 |
R-factor | 0.2083 |
Rwork | 0.206 |
R-free | 0.24870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5czn |
RMSD bond length | 0.016 |
RMSD bond angle | 1.741 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.066 | |
Number of reflections | 17236 | |
<I/σ(I)> | 36.82 | |
Completeness [%] | 99.7 | 99 |
Redundancy | 11.9 | 10.2 |
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, 200 mM rUMP |