8IW6
crystal structure of SulE mutant
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 | 2023-01-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.970, 139.930, 58.030 |
Unit cell angles | 90.00, 101.57, 90.00 |
Refinement procedure
Resolution | 24.760 - 1.440 |
Rwork | 0.167 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8gol |
RMSD bond length | 0.011 |
RMSD bond angle | 1.129 |
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] | 24.970 | 1.480 |
High resolution limit [Å] | 1.440 | 1.440 |
Rpim | 0.024 | 0.429 |
Number of reflections | 132554 | 5887 |
<I/σ(I)> | 18.1 | |
Completeness [%] | 92.6 | |
Redundancy | 5.9 | |
CC(1/2) | 0.999 | 0.635 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG |