5VRJ
2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium
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 | 2017-03-23 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 90.924, 90.924, 133.913 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.908 - 2.302 |
R-factor | 0.2021 |
Rwork | 0.199 |
R-free | 0.24710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.051 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.081 | 0.043 | 0.843 |
Rmeas | 0.087 | 0.046 | 0.931 |
Rpim | 0.030 | 0.016 | 0.376 |
Number of reflections | 12688 | ||
<I/σ(I)> | 10.4 | ||
Completeness [%] | 99.0 | 99.8 | 91.3 |
Redundancy | 7.9 | 8 | 4.7 |
CC(1/2) | 0.999 | 0.749 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 0.1 M HEPES pH 7.8, 1 M Ammonium Sulfate, 50 mM MgCl2, 1% PVP K15 |