6YXK
Crystal structure of ACPA 3F3 in complex with cit-vimentin 59-74
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.91840 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.379, 82.094, 135.613 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.280 - 2.000 |
Rwork | 0.210 |
R-free | 0.25340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5OCX(early model) |
RMSD bond length | 0.018 |
RMSD bond angle | 2.259 |
Data reduction software | XDS (0.7.4) |
Data scaling software | XDS |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.334 | 52.280 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.122 | 0.058 | 0.936 |
Rmeas | 0.140 | 0.066 | 1.069 |
Rpim | 0.067 | 0.032 | 0.511 |
Number of reflections | 40933 | 542 | 3018 |
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.5 | ||
Redundancy | 8 | 6.9 | 8.2 |
CC(1/2) | 0.996 | 0.996 | 0.676 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20mM Tris pH 7.5, 20mM NaCl, 0.2M ammonium chloride pH 6.3, (20%) w/v PEG 3350) |