9HTY
Crystal structure of Ami2B domain of DS6A-LysA in complex with L-Ala-D-iso-Gln-L-Lys- D-Ala-D-Ala
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-01 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.683, 121.237, 80.052 |
| Unit cell angles | 90.00, 106.25, 90.00 |
Refinement procedure
| Resolution | 60.620 - 2.740 |
| R-factor | 0.1639 |
| Rwork | 0.162 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.741 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.620 | 2.790 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.112 | 0.415 |
| Number of reflections | 16754 | 845 |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 98.0 | 99.8 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.991 | 0.864 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M HEPES pH 7.5, NaH2PO4 0.8M, KH2PO4 0.4M |
