8IVN
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 | 51.230, 139.730, 58.150 |
Unit cell angles | 90.00, 101.42, 90.00 |
Refinement procedure
Resolution | 40.780 - 1.500 |
Rwork | 0.164 |
R-free | 0.17970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8gol |
RMSD bond length | 0.009 |
RMSD bond angle | 1.011 |
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] | 42.030 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rpim | 0.040 | 0.395 |
Number of reflections | 126161 | 8460 |
<I/σ(I)> | 16.4 | |
Completeness [%] | 98.9 | |
Redundancy | 6 | |
CC(1/2) | 0.992 | 0.698 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG |