8DAL
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-12-10 |
Detector | APEX II CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 75.403, 75.403, 120.436 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.150 - 2.200 |
R-factor | 0.2055 |
Rwork | 0.200 |
R-free | 0.25760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e6v |
RMSD bond length | 0.004 |
RMSD bond angle | 0.568 |
Data reduction software | APEX 2 |
Data scaling software | APEX 2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.150 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.090 | 1.368 |
Rmeas | 0.092 | |
Rpim | 0.020 | 0.415 |
Number of reflections | 19468 | 1049 |
<I/σ(I)> | 17.2 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.6 | |
CC(1/2) | 1.000 | 0.589 |
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 |