7BXC
Crystal structure of Ca_00311 form II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 326.437, 109.960, 152.981 |
| Unit cell angles | 90.00, 108.77, 90.00 |
Refinement procedure
| Resolution | 48.280 - 2.250 |
| R-factor | 0.1663 |
| Rwork | 0.165 |
| R-free | 0.20120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xt1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.538 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.280 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.239 | 1.179 |
| Rmeas | 0.258 | 1.282 |
| Rpim | 0.097 | 0.496 |
| Number of reflections | 241753 | 11679 |
| <I/σ(I)> | 7.5 | 2 |
| Completeness [%] | 99.6 | 97.8 |
| Redundancy | 7 | 6.6 |
| CC(1/2) | 0.986 | 0.677 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.8M sodium phosphate monobasic, 0.8M potassium phosphate monobasic |
