8TVD
Fab 221-11 in complex with OspA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 107.812, 107.812, 316.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.732 - 3.077 |
R-factor | 0.2369 |
Rwork | 0.234 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.589 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.100 |
High resolution limit [Å] | 3.050 | 8.270 | 3.050 |
Rmerge | 0.127 | 2.961 | |
Rmeas | 0.136 | 3.058 | |
Rpim | 0.046 | 0.756 | |
Number of reflections | 35457 | 1956 | 1719 |
<I/σ(I)> | 2.3 | ||
Completeness [%] | 99.4 | 97.3 | 100 |
Redundancy | 15.2 | 10.3 | 16.1 |
CC(1/2) | 0.600 | 0.982 | 0.571 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 4% pentaerythritol ethoxylate, 2.2 M ammonium sulfate, and 100 mM sodium acetate pH 4.6. 2.0 M Tri-ammonium citrate and 5% MPD. |