8J7L
crystal structure of SulE mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.912, 139.101, 57.798 |
Unit cell angles | 90.00, 101.72, 90.00 |
Refinement procedure
Resolution | 28.300 - 1.590 |
Rwork | 0.183 |
R-free | 0.21070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8gol |
RMSD bond length | 0.009 |
RMSD bond angle | 1.088 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (v1.16) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.580 | 1.630 |
High resolution limit [Å] | 1.590 | 1.590 |
Rpim | 0.115 | 0.889 |
Number of reflections | 103326 | 7475 |
<I/σ(I)> | 5.5 | |
Completeness [%] | 98.3 | |
Redundancy | 6.3 | |
CC(1/2) | 0.973 | 0.277 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG |