Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.935, 116.695, 201.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.940 - 2.750 |
Rwork | 0.203 |
R-free | 0.28640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.014 |
RMSD bond angle | 1.489 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.1.17.3360) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.940 | 2.830 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.146 | 0.619 |
Number of reflections | 59507 | 4562 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 99.8 | |
Redundancy | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 24% polyethlene glycol 400, 0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate, pH 5.5 |