9DW2
Crystal structure of ABLE, 10% DMSO soak
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 | 2022-02-22 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 25.970, 47.126, 46.489 |
| Unit cell angles | 90.00, 102.92, 90.00 |
Refinement procedure
| Resolution | 45.310 - 1.300 |
| R-factor | 0.1954 |
| Rwork | 0.193 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.889 |
| Data reduction software | XDS (Jun 30, 2023) |
| Data scaling software | XDS (Jun 30, 2023) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.310 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.029 | 0.595 |
| Rmeas | 0.034 | 0.711 |
| Rpim | 0.019 | 0.382 |
| Total number of observations | 87861 | 4350 |
| Number of reflections | 26151 | 1296 |
| <I/σ(I)> | 17.5 | 1.9 |
| Completeness [%] | 97.2 | |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.999 | 0.839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 220 mM sodium malonate, 22% (w/v) PEG 3350 |
