4ZI0
Endonuclease inhibitor bound to influenza strain H1N1 polymerase acidic subunit N-terminal region without a chelation to the metal ions in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 66.758, 66.758, 126.744 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.278 - 1.802 |
R-factor | 0.2011 |
Rwork | 0.200 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m5q |
RMSD bond length | 0.013 |
RMSD bond angle | 1.435 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (11.0.05) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.060 | 0.035 | |
Rmeas | 0.063 | 0.037 | |
Rpim | 0.017 | 0.010 | 0.328 |
Total number of observations | 374092 | ||
Number of reflections | 27032 | ||
<I/σ(I)> | 16.8 | ||
Completeness [%] | 98.9 | 88.7 | 100 |
Redundancy | 13.8 | 12 | 14.2 |
CC(1/2) | 0.999 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 291 | 100 mM MES, 1.1 M ammonium sulfate, 0.1 M potassium chloride, 9 % trehalose |