9F03
mRhubarb720-WT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 200 |
| Detector technology | PIXEL |
| Collection date | 2021-12-16 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.58136 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.845, 58.845, 185.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.430 - 3.300 |
| R-factor | 0.23 |
| Rwork | 0.225 |
| R-free | 0.30885 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.448 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.430 | 3.570 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.334 | 1.645 |
| Rmeas | 0.377 | 1.946 |
| Rpim | 0.170 | 1.007 |
| Total number of observations | 2786 | |
| Number of reflections | 5072 | 953 |
| <I/σ(I)> | 4.8 | 0.7 |
| Completeness [%] | 95.1 | |
| Redundancy | 4.2 | 2.9 |
| CC(1/2) | 0.971 | 0.315 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | Buffer: 0.1 M MMT (DL-Malic acid, MES monohydrate) Precipitant: 25 % w/v PEG 1500 pH: 5.0 |
