9JPE
the DISMED2 domain of RetS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-03-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.582, 80.582, 51.349 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.300 - 3.500 |
R-factor | 0.2762 |
Rwork | 0.271 |
R-free | 0.32580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jyb |
RMSD bond length | 0.006 |
RMSD bond angle | 0.948 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (dev_5246) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.400 |
High resolution limit [Å] | 3.500 | 3.500 |
Number of reflections | 39591 | 19940 |
<I/σ(I)> | 2.68 | 1.11 |
Completeness [%] | 97.1 | 97.8 |
Redundancy | 7.6 | |
CC(1/2) | 0.917 | 0.640 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1M BIs-Tris Propane pH 8.5, 0.2 M NaI, 20% peg3350 |