7K87
The crystal structure of the 2009 H1N1 PA endonuclease in complex with SJ000986436
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-09-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 89.502, 89.502, 132.791 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.750 - 2.700 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vpt |
RMSD bond length | 0.002 |
RMSD bond angle | 0.575 |
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] | 45.810 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.091 | 0.995 |
Rmeas | 0.101 | 1.097 |
Rpim | 0.042 | 0.453 |
Number of reflections | 7507 | 5615 |
<I/σ(I)> | 17.7 | 1.9 |
Completeness [%] | 98.0 | 98.8 |
Redundancy | 5.6 | 5.7 |
CC(1/2) | 0.998 | 0.649 |
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 |