7ROL
Amyloid-related segment of alphaB-crystallin residues 90-100 with G95W mutation, bromo derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-15 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.92004 |
Spacegroup name | P 64 |
Unit cell lengths | 36.930, 36.930, 24.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.982 - 1.996 |
Rwork | 0.293 |
R-free | 0.33810 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.677 |
Data reduction software | XDS (20200131) |
Data scaling software | SCALEPACK (20200131) |
Phasing software | MLPHARE (7.1.004) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.982 | 31.982 | 2.070 |
High resolution limit [Å] | 1.996 | 7.470 | 2.000 |
Rmerge | 0.097 | 0.046 | 1.794 |
Rmeas | 0.100 | 0.048 | 1.843 |
Number of reflections | 1372 | 29 | 149 |
<I/σ(I)> | 14.9 | 48.85 | 1.61 |
Completeness [%] | 99.7 | 100 | 100 |
Redundancy | 19.594 | 17.034 | 19.067 |
CC(1/2) | 0.999 | 1.000 | 0.657 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | diammonium phosphate, methyl-2,4-pentandiol |