7RCB
Crystal Structure of a PMS2 VUS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-20 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.219, 75.262, 134.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.340 - 2.000 |
| R-factor | 0.167 |
| Rwork | 0.162 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h7s |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.578 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | PHENIX (V1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.340 | 2.071 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.078 | 0.895 |
| Rmeas | 0.083 | 0.962 |
| Rpim | 0.029 | 0.344 |
| Number of reflections | 51950 | 5160 |
| <I/σ(I)> | 19.71 | 2.5 |
| Completeness [%] | 98.8 | 99.46 |
| Redundancy | 7.9 | 7.5 |
| CC(1/2) | 0.999 | 0.739 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 289.15 | 1:1 7.5 mg/mL protein with 8% v/v Tacsimate, pH 5.8, 25% w/v PEG3350 |
