8X6Y
Crystal structure of EfCDA
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 | 2022-08-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 54.349, 55.749, 82.159 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.250 - 1.560 |
R-factor | 0.1532 |
Rwork | 0.152 |
R-free | 0.17400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.008 |
RMSD bond angle | 1.088 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.124 | 0.194 |
Number of reflections | 36093 | 1738 |
<I/σ(I)> | 43.4 | |
Completeness [%] | 99.1 | |
Redundancy | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 0.1 M sodium cacodylate, pH 6.5, 20% PEG 4000 |