6VBR
The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986248
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 | PIXEL |
Collection date | 2019-08-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 90.790, 90.790, 134.118 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.860 - 2.750 |
R-factor | 0.2397 |
Rwork | 0.239 |
R-free | 0.25480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vpt |
RMSD bond length | 0.006 |
RMSD bond angle | 0.978 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_3965) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.180 | 2.880 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.060 | 1.173 |
Rmeas | 0.064 | 1.242 |
Rpim | 0.022 | 0.404 |
Number of reflections | 7619 | 983 |
<I/σ(I)> | 18.6 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.7 | 9.3 |
CC(1/2) | 0.999 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M HEPES PH 7.8, 1 M AMMONIUM SULFATE, 10 MM MNCL2, 10 MM MGCL2, 0.5% PVP K15, PH 6.5 |