6IAY
Alpha-1-antitrypsin Queen's (Lys154Asn) variant
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 | 2018-05-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.265, 38.763, 89.712 |
Unit cell angles | 90.00, 104.13, 90.00 |
Refinement procedure
Resolution | 43.499 - 1.900 |
R-factor | 0.2136 |
Rwork | 0.212 |
R-free | 0.24150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i4v |
Data reduction software | DIALS (1.9.3-gb491019a-release) |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.13-2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.510 | 43.510 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.053 | 0.026 | 0.514 |
Rmeas | 0.063 | 0.031 | 0.614 |
Rpim | 0.035 | 0.017 | 0.331 |
Number of reflections | 29809 | 374 | 2189 |
<I/σ(I)> | 9.6 | 31.1 | 1.9 |
Completeness [%] | 98.1 | 98.3 | 97.1 |
Redundancy | 3.2 | 3 | 3.3 |
CC(1/2) | 0.999 | 0.999 | 0.526 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 293 | 22.5% PEG 1500, 0.1M SPG (succinate-phosphate-glycine) pH 5.75 |