7RKP
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with cyclic compound SJ001034733
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-07-15 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 89.690, 89.690, 133.156 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.920 - 2.360 |
| R-factor | 0.2277 |
| Rwork | 0.226 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vpt |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.565 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.390 | 2.450 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.042 | |
| Rpim | 0.020 | 0.378 |
| Number of reflections | 11501 | 1162 |
| <I/σ(I)> | 21.1 | 1.9 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 5.4 | 5.2 |
| CC(1/2) | 1.000 | 0.853 |
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 |
