6YXM
Crystal structure of ACPA 1F2 in complex with CII-C-39-CIT
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 210 |
Detector technology | PIXEL |
Collection date | 2018-03-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97662 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.010, 89.650, 118.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.219 - 2.850 |
Rwork | 0.210 |
R-free | 0.27620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ocx |
RMSD bond length | 0.004 |
RMSD bond angle | 1.333 |
Data reduction software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 118.750 | 118.750 | 3.000 |
High resolution limit [Å] | 2.850 | 9.010 | 2.850 |
Rmerge | 0.146 | 0.074 | 0.501 |
Rmeas | 0.165 | 0.084 | 0.569 |
Rpim | 0.076 | 0.039 | 0.267 |
Number of reflections | 13893 | 515 | 1976 |
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.9 | ||
Redundancy | 8.8 | 7.7 | 8.7 |
CC(1/2) | 0.993 | 0.996 | 0.914 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20mM Tris pH 7.4, 20mMNaCl, 20% (w/v) PEG 6000, 0.1M HEPES 7.0 pH 7.0, 0.01M zinc chloride. |