8IVE
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 | 51.085, 140.079, 58.217 |
Unit cell angles | 90.00, 101.67, 90.00 |
Refinement procedure
Resolution | 40.280 - 1.440 |
Rwork | 0.177 |
R-free | 0.19610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8gol |
RMSD bond length | 0.008 |
RMSD bond angle | 0.997 |
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] | 57.010 | 1.510 |
High resolution limit [Å] | 1.440 | 1.440 |
Rpim | 0.035 | 0.311 |
Number of reflections | 145171 | 21201 |
<I/σ(I)> | 13 | |
Completeness [%] | 99.8 | |
Redundancy | 5.8 | |
CC(1/2) | 0.998 | 0.778 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG |