8QD6
AntI Ser245DHA (PMSF)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 54.720, 154.970, 91.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.930 - 1.700 |
R-factor | 0.16776 |
Rwork | 0.167 |
R-free | 0.18826 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 1.178 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.048 | 0.624 |
Number of reflections | 42427 | 6613 |
<I/σ(I)> | 15.6 | 2.5 |
Completeness [%] | 98.3 | 98.5 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 100 mM HEPES pH 7.1, 0.1 M NaAc pH 6.6, 24% PEG 3350 |