9DCY
Crystal Structure of Designed allosteric facilitated dissociation switch AS1 in complex state HE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-25 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.00002 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.448, 35.983, 88.903 |
| Unit cell angles | 90.00, 109.63, 90.00 |
Refinement procedure
| Resolution | 47.980 - 2.350 |
| R-factor | 0.1961 |
| Rwork | 0.194 |
| R-free | 0.24350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.326 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_4761) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.980 | 2.470 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.090 | 0.221 |
| Rpim | 0.044 | 0.190 |
| Number of reflections | 19956 | 2831 |
| <I/σ(I)> | 8.7 | 1.88 |
| Completeness [%] | 99.7 | 99.89 |
| Redundancy | 4.8 | 5.1 |
| CC(1/2) | 0.997 | 0.692 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M 1,6-Hexanediol, 0.2M 1-Butanol, 0.2M 1,2-Propanediol, 0.2M 2-Propanol, 0.2M 1,4-Butanediol, 0.2M 1,3-Propanediol, Sodium HEPES; MOPS (acid) pH 7.5 and 40% v/v PEG 500* MME; 20 % w/v PEG 20000 |
