5VPX
I38T mutant of 2009 H1N1 PA Endonuclease in complex with RO-7
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 | 90.672, 90.672, 134.165 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.816 - 2.303 |
R-factor | 0.1951 |
Rwork | 0.193 |
R-free | 0.22390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vp8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.067 |
Data reduction software | HKL-2000 |
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 | 0.047 | 0.774 |
Rmeas | 0.085 | 0.049 | 0.834 |
Rpim | 0.025 | 0.015 | 0.300 |
Number of reflections | 12668 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 99.2 | 99.6 | 92.9 |
Redundancy | 10.9 | 11 | 6.7 |
CC(1/2) | 0.998 | 0.809 |
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, 10 mM MnCl2, 10 mM MgCl2, 0.5% PVP K15 |