Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-11-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.388, 94.790, 97.616 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.000 - 2.100 |
Rwork | 0.217 |
R-free | 0.27650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.709 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.160 | 2.060 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.122 | 1.764 |
Number of reflections | 47662 | 3471 |
<I/σ(I)> | 6.7 | |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.15 M DL-Malic acid pH 7.0, PEG 3,350 20% |