6QU9
Fab fragment of an antibody that inhibits polymerisation of alpha-1-antitrypsin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.268, 105.102, 105.128 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.287 - 1.900 |
R-factor | 0.2034 |
Rwork | 0.202 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Model generated using RosettaAntibody protocol |
Data reduction software | XDS (20180126) |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.14-3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 105.100 | 105.100 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.082 | 0.052 | 0.845 |
Rmeas | 0.090 | 0.058 | 0.919 |
Rpim | 0.036 | 0.025 | 0.359 |
Number of reflections | 69862 | 746 | 4469 |
<I/σ(I)> | 9.8 | 20.9 | 1.6 |
Completeness [%] | 99.9 | 99.5 | 99.9 |
Redundancy | 6.3 | 5.2 | 6.5 |
CC(1/2) | 0.997 | 0.996 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1M Bis-Tris pH 5.5, 25% PEG 3350, 0.2M ammonium sulfate |