8P4J
Alpha-1-antitrypsin - Sydney variant (G192C)
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 | 2020-02-06 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.061, 38.544, 89.992 |
| Unit cell angles | 90.00, 104.62, 90.00 |
Refinement procedure
| Resolution | 55.180 - 1.910 |
| R-factor | 0.2123 |
| Rwork | 0.210 |
| R-free | 0.25340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.563 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.080 | 2.120 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.104 | 0.971 |
| Rmeas | 0.113 | 1.085 |
| Rpim | 0.043 | 0.470 |
| Number of reflections | 25285 | 963 |
| <I/σ(I)> | 11.3 | 1.4 |
| Completeness [%] | 84.1 | 34.2 |
| Redundancy | 5.9 | 4.7 |
| CC(1/2) | 0.998 | 0.571 |
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 |
