8QXC
Crystal structure of antibody Fab MIL-3 with PenG-Lys
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-09-15 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.953731 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.566, 113.236, 82.873 |
Unit cell angles | 90.00, 108.80, 90.00 |
Refinement procedure
Resolution | 66.840 - 2.300 |
R-factor | 0.2188 |
Rwork | 0.217 |
R-free | 0.26620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.271 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.840 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.149 | 1.049 |
Number of reflections | 63267 | 3027 |
<I/σ(I)> | 8.4 | 0.6 |
Completeness [%] | 99.8 | |
Redundancy | 7 | |
CC(1/2) | 0.991 | 0.623 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | MES, PEG 6000, NH4Cl |