7U5G
ACS122 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.402, 70.445, 97.324 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.220 - 1.840 |
| R-factor | 0.2234 |
| Rwork | 0.222 |
| R-free | 0.25640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f7e |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.286 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.220 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.850 |
| Rmerge | 0.186 | 1.010 |
| Rmeas | 0.195 | 1.160 |
| Rpim | 0.056 | 0.570 |
| Number of reflections | 39554 | 1817 |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 99.4 | |
| Redundancy | 11.5 | |
| CC(1/2) | 0.760 | 0.350 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1M of Tris (pH 8.5) and 55%(v/v) 2-methyl-2,4-pentanediol |
