5DES
2009 H1N1 PA endonuclease domain
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 | 2014-11-09 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.97918 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 73.619, 73.619, 129.056 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.000 - 2.050 |
R-factor | 0.1995 |
Rwork | 0.198 |
R-free | 0.23320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e5e |
RMSD bond length | 0.010 |
RMSD bond angle | 1.317 |
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 | 2.120 |
High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
Rmerge | 0.089 | 0.044 | 0.714 |
Rmeas | 0.091 | 0.045 | 0.727 |
Rpim | 0.016 | 0.008 | 0.133 |
Total number of observations | 455526 | ||
Number of reflections | 13811 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 33 | 30.3 | 29.4 |
CC(1/2) | 1.000 | 0.977 |
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 |