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 |