7UZ2
Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-fluoro-valienide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 168.265, 168.265, 95.504 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.419 - 1.830 |
Rwork | 0.207 |
R-free | 0.24230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uwr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.668 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.800 | 1.880 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.027 | 1.115 |
Number of reflections | 136568 | 6735 |
<I/σ(I)> | 11.6 | 0.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 10.2 | |
CC(1/2) | 1.000 | 0.280 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10 - 13 % PEG 4000, 0.1 M Sodium Acetate, 0.2M Ammonium Acetate, 5% ethylene glycol. |