Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 293.15 |
Detector technology | PIXEL |
Collection date | 2023-10-26 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.265, 92.917, 44.265 |
Unit cell angles | 90.00, 90.18, 90.00 |
Refinement procedure
Resolution | 29.710 - 1.650 |
Rwork | 0.126 |
R-free | 0.15840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6u9i |
RMSD bond length | 0.012 |
RMSD bond angle | 1.798 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.710 | 1.709 |
High resolution limit [Å] | 1.600 | 1.650 |
Number of reflections | 42230 | 4259 |
<I/σ(I)> | 14.16 | |
Completeness [%] | 99.2 | |
Redundancy | 5.6 | |
CC(1/2) | 0.998 | 0.815 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 2 M ammonium sulfate, 0.2 M potassium sodium tartrate tetrahydrate, and 0.1 M sodium citrate (pH 5.6) |