Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-03-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.965459 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 90.565, 90.565, 290.432 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.850 - 3.000 |
R-factor | 0.2101 |
Rwork | 0.206 |
R-free | 0.28590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.329 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 290.430 | 3.180 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.167 | 1.300 |
Rmeas | 0.176 | 1.451 |
Rpim | 0.054 | 0.631 |
Total number of observations | 247786 | 15607 |
Number of reflections | 24425 | 3287 |
<I/σ(I)> | 10 | 1.2 |
Completeness [%] | 96.8 | |
Redundancy | 10.1 | 4.7 |
CC(1/2) | 0.995 | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1 M NaAcetate pH 4.6, 20% w/v PEG1000 |