8CTF
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 75.660, 75.660, 119.451 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.520 - 2.140 |
R-factor | 0.2073 |
Rwork | 0.203 |
R-free | 0.24270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e6v |
RMSD bond length | 0.003 |
RMSD bond angle | 0.441 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.550 | 2.220 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.074 | 1.636 |
Rmeas | 0.076 | 1.669 |
Rpim | 0.015 | 0.326 |
Number of reflections | 21016 | 1136 |
<I/σ(I)> | 23.4 | 2.5 |
Completeness [%] | 100.0 | |
Redundancy | 25 | |
CC(1/2) | 1.000 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 32% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate |