6UST
Gut microbial sulfatase from Hungatella hathewayi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.911, 114.668, 188.654 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.700 - 2.600 |
R-factor | 0.1614 |
Rwork | 0.159 |
R-free | 0.22890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bia |
RMSD bond length | 0.008 |
RMSD bond angle | 0.925 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.700 | 2.661 |
High resolution limit [Å] | 2.590 | 2.596 |
Number of reflections | 60399 | 5721 |
<I/σ(I)> | 8.91 | |
Completeness [%] | 92.9 | |
Redundancy | 3.9 | |
CC(1/2) | 0.993 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 10 mg/mL protein 0.2 M Potassium fluoride 20 % (w/v) PEG 3350 |