5G0Q
beta-glucuronidase with an activity-based probe (N-alkyl cyclophellitol aziridine) bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-02 |
Detector | DECTRIS PILATUS |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 148.512, 44.896, 82.216 |
Unit cell angles | 90.00, 114.78, 90.00 |
Refinement procedure
Resolution | 74.640 - 1.650 |
R-factor | 0.12289 |
Rwork | 0.120 |
R-free | 0.16922 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vo0 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.859 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.600 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.050 | 0.590 |
Number of reflections | 59263 | |
<I/σ(I)> | 12.1 | 2.2 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.6 | 8.6 |