6HHM
Crystal structure of the family S1_7 ulvan-specific sulfatase FA22070 from Formosa agariphila
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978570 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.733, 66.153, 141.798 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.239 - 1.230 |
R-factor | 0.1359 |
Rwork | 0.135 |
R-free | 0.15290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fql |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.370 | 1.300 |
High resolution limit [Å] | 1.230 | 1.230 |
Rmerge | 0.040 | 0.398 |
Rmeas | 0.045 | 0.448 |
Rpim | 0.020 | 0.203 |
Number of reflections | 131006 | 18927 |
<I/σ(I)> | 16.7 | 3.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.8 | 4.7 |
CC(1/2) | 0.999 | 0.929 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM MIB pH 5.0 25 % PEG 1,500 |