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 |