4ZHZ
Endonuclease inhibitor bound to influenza strain H1N1 polymerase acidic subunit N-terminal region with expelling one of 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 | 66.562, 66.562, 129.173 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.038 - 2.500 |
R-factor | 0.2243 |
Rwork | 0.222 |
R-free | 0.27040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m5q |
RMSD bond length | 0.004 |
RMSD bond angle | 0.794 |
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 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.136 | 0.087 | |
Rmeas | 0.140 | 0.092 | |
Rpim | 0.041 | 0.027 | 0.315 |
Total number of observations | 126278 | ||
Number of reflections | 10200 | ||
<I/σ(I)> | 9.2 | ||
Completeness [%] | 95.6 | 97.9 | 93.3 |
Redundancy | 12.4 | 11.5 | 12.8 |
CC(1/2) | 0.993 | 0.786 |
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 and 9 % trehalose |