5OCY
Crystal structure of ACPA E4 in complex with CII-C-48-CIT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.130, 99.048, 100.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.530 - 2.600 |
R-factor | 0.19028 |
Rwork | 0.187 |
R-free | 0.24499 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ocx (early model) |
RMSD bond length | 0.009 |
RMSD bond angle | 1.409 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.530 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.140 | 0.621 |
Rpim | 0.081 | 0.367 |
Number of reflections | 14679 | 1763 |
<I/σ(I)> | 10.9 | 2.8 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 7.2 | 7.2 |
CC(1/2) | 0.995 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 15% (w/v) PEG 6000, 0.1 M Tris pH 8.5 |