6WIJ
The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986448
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 | 2020-03-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.700 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 89.564, 89.564, 132.889 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.270 - 2.440 |
R-factor | 0.2171 |
Rwork | 0.215 |
R-free | 0.26450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vpt |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.270 | 2.540 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.208 | 1.464 |
Rmeas | 0.213 | 1.499 |
Rpim | 0.047 | 0.319 |
Number of reflections | 10430 | 1156 |
<I/σ(I)> | 7.5 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.9 | 21.6 |
CC(1/2) | 0.995 | 0.866 |
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 |