5G0M
beta-glucuronidase with an activity-based probe (N-acyl cyclophellitol aziridine) bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-22 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.740, 44.810, 83.270 |
| Unit cell angles | 90.00, 115.50, 90.00 |
Refinement procedure
| Resolution | 66.710 - 1.800 |
| R-factor | 0.18412 |
| Rwork | 0.183 |
| R-free | 0.21319 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vo0 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.812 |
| 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] | 66.710 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.540 |
| Number of reflections | 45856 | |
| <I/σ(I)> | 13.6 | 2.1 |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 4.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.6 | 293 | 0.7 UL 4.5 MG/ML PROTEIN STOCK IS MIXED WITH 0.5 UL PRECIPITANT COMPOSED OF 1 M NAH2PO4:K2HPO4 = 0.5:9.5 (V/V) AT 20 DEGREE., pH 8.6 |
