8P4U
Alpha-1-antitrypsin - Sydney variant (G192C)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-21 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.125, 36.376, 88.938 |
Unit cell angles | 90.00, 106.34, 90.00 |
Refinement procedure
Resolution | 42.670 - 2.400 |
R-factor | 0.2191 |
Rwork | 0.217 |
R-free | 0.25360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.496 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.670 | 2.560 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.089 | 1.309 |
Rmeas | 0.096 | 1.414 |
Rpim | 0.037 | 0.529 |
Number of reflections | 11198 | 800 |
<I/σ(I)> | 12 | 1.5 |
Completeness [%] | 87.5 | |
Redundancy | 6.8 | 7.1 |
CC(1/2) | 0.997 | 0.621 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 0.1M MIB pH 5.5 25% PEG 1500 |