8Q3Y
Crystal structure of apo 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 | 2020-10-31 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.427, 79.956, 94.060 |
| Unit cell angles | 90.00, 92.97, 90.00 |
Refinement procedure
| Resolution | 49.160 - 2.520 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.23040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.641 |
| 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] | 49.160 | 2.613 |
| High resolution limit [Å] | 2.520 | 2.523 |
| Rmerge | 0.097 | 0.715 |
| Rmeas | 0.104 | 0.771 |
| Rpim | 0.039 | |
| Number of reflections | 30882 | 3041 |
| <I/σ(I)> | 14.25 | 2.41 |
| Completeness [%] | 98.7 | 98.16 |
| Redundancy | 7 | 7.2 |
| CC(1/2) | 0.998 | 0.831 |
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 |
