8IVH
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 | 50.900, 140.060, 58.120 |
Unit cell angles | 90.00, 101.44, 90.00 |
Refinement procedure
Resolution | 24.350 - 1.450 |
Rwork | 0.156 |
R-free | 0.17020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8gol |
RMSD bond length | 0.008 |
RMSD bond angle | 1.148 |
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] | 24.430 | 1.490 |
High resolution limit [Å] | 1.450 | 1.450 |
Rpim | 0.034 | 0.439 |
Number of reflections | 132910 | 6159 |
<I/σ(I)> | 15 | |
Completeness [%] | 94.6 | |
Redundancy | 4.5 | |
CC(1/2) | 0.998 | 0.639 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG |