8Q3Z
Crystal structure of cA4-bound Can2 from Thermoanaerobacter brockii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2022-05-25 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.966, 79.133, 94.214 |
| Unit cell angles | 90.00, 95.58, 90.00 |
Refinement procedure
| Resolution | 93.770 - 3.150 |
| R-factor | 0.225 |
| Rwork | 0.223 |
| R-free | 0.25630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.684 |
| Data reduction software | XDS (20220110) |
| Data scaling software | autoPROC (20230726) |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.770 | 3.270 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.138 | 0.905 |
| Rmeas | 0.150 | 0.981 |
| Rpim | 0.060 | 0.376 |
| Number of reflections | 14187 | 1474 |
| <I/σ(I)> | 7.3 | 2.24 |
| Completeness [%] | 95.7 | 100 |
| Redundancy | 6.3 | 6.7 |
| CC(1/2) | 0.997 | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293.15 | 50 mM Tris pH 8, 17.1% (v/v) PEG 550 MME, 4.3% (w/v) PEG 2000 |
