6I7U
Alpha-1-antitrypsin (Ala250Met) in the native conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.710, 38.821, 89.322 |
| Unit cell angles | 90.00, 103.84, 90.00 |
Refinement procedure
| Resolution | 36.658 - 1.550 |
| R-factor | 0.1875 |
| Rwork | 0.186 |
| R-free | 0.21090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i4v |
| Data reduction software | XDS (November 11, 2017) |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.1) |
| Refinement software | PHENIX (1.13-2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 86.730 | 86.730 | 1.580 |
| High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
| Rmerge | 0.107 | 0.091 | 0.924 |
| Rmeas | 0.117 | 0.100 | 1.043 |
| Rpim | 0.047 | 0.042 | 0.471 |
| Number of reflections | 55773 | 385 | 2693 |
| <I/σ(I)> | 8.2 | 15.7 | 1.8 |
| Completeness [%] | 99.8 | 99.3 | 99.9 |
| Redundancy | 6 | 5.3 | 4.9 |
| CC(1/2) | 0.995 | 0.992 | 0.744 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 22.5% PEG 1500, 0.1M SPG (succinate-phosphate-glycine) pH 5.5 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 22.5% PEG 1500, 0.1M SPG (succinate-phosphate-glycine) pH 5.5 |
