6VLL
The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986213
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 | 2019-02-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 90.693, 90.693, 132.456 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.210 - 2.870 |
R-factor | 0.2387 |
Rwork | 0.235 |
R-free | 0.28440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vpt |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.830 | 3.030 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.083 | 0.938 |
Rmeas | 0.090 | 1.007 |
Rpim | 0.032 | 0.349 |
Number of reflections | 6270 | 903 |
<I/σ(I)> | 13.4 | 1.9 |
Completeness [%] | 95.9 | |
Redundancy | 7.7 | |
CC(1/2) | 0.999 |
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 |