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 |
