6V6X
The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000988632
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 89.804, 89.804, 133.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.260 - 2.500 |
R-factor | 0.2591 |
Rwork | 0.257 |
R-free | 0.29510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vpt |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17rc1_3605) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.770 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.035 | 0.448 |
Rmeas | 0.039 | 0.500 |
Rpim | 0.016 | 0.217 |
Number of reflections | 9775 | 1066 |
<I/σ(I)> | 22.9 | |
Completeness [%] | 99.8 | |
Redundancy | 5.3 | |
CC(1/2) | 0.999 | 0.899 |
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 |