8TSK
Structure of human LIAS in the presence of 5'-deoxyadenosine and octanoyl-modified peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-03-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.536, 69.025, 93.790 |
| Unit cell angles | 90.00, 94.52, 90.00 |
Refinement procedure
| Resolution | 27.770 - 1.580 |
| R-factor | 0.1788 |
| Rwork | 0.178 |
| R-free | 0.21090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.769 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Number of reflections | 586767 | 3623 |
| <I/σ(I)> | 20.5 | |
| Completeness [%] | 98.6 | 86.2 |
| Redundancy | 7 | |
| CC(1/2) | 0.995 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES pH 7.5, 0.2 M sodium sulfate, 30% (w/v) PEG 3350, 3% (w/v) D-(+)-trehalose |
