7CKH
Crystal structure of TMSiPheRS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97891 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.180, 91.203, 107.523 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.746 - 1.795 |
| R-factor | 0.207629623948 |
| Rwork | 0.206 |
| R-free | 0.24547 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hjr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.797 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12rc0_2787) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.750 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.049 | 0.967 |
| Rpim | 0.021 | 0.453 |
| Number of reflections | 65842 | 22047 |
| <I/σ(I)> | 16.8 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 26% PEG 1500, 100mM Hepes, 200mM L-proline |
