8GQB
Crystal structure of lasso peptide epimerase MslH D11A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-30 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.000000 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 127.115, 127.115, 170.648 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.940 - 2.410 |
R-factor | 0.1973 |
Rwork | 0.196 |
R-free | 0.22380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8gq9 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.485 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.940 | 2.500 |
High resolution limit [Å] | 2.410 | 2.410 |
Rmerge | 0.142 | 1.425 |
Number of reflections | 51614 | 2833 |
<I/σ(I)> | 16.3 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 16.3 | 15.3 |
CC(1/2) | 0.999 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 5.00 mg/mL MslH D11A, 200 mM magnesium chloride, 100 mM Tris-HCl, 20% (w/v) PEG400 |