5D4G
2009 H1N1 PA endonuclease mutant F105S 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 | 2015-08-04 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.000 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 73.783, 73.783, 129.879 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.080 |
R-factor | 0.1832 |
Rwork | 0.180 |
R-free | 0.23150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d42 |
RMSD bond length | 0.023 |
RMSD bond angle | 2.222 |
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 | 2.180 |
High resolution limit [Å] | 2.080 | 4.520 | 2.080 |
Rmerge | 0.082 | 0.047 | 0.830 |
Rmeas | 0.085 | 0.049 | 0.867 |
Rpim | 0.022 | 0.013 | 0.239 |
Total number of observations | 182401 | ||
Number of reflections | 13123 | ||
<I/σ(I)> | 11.7 | ||
Completeness [%] | 99.6 | 97.5 | 99.1 |
Redundancy | 13.9 | 12.6 | 12.6 |
CC(1/2) | 0.999 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M magnesium chloride, 2 mM manganese chloride, 0.1 M Tris pH 8.5, 30% w/v PEG4000 |