6JZ6
b-glucuronidase from Ruminococcus gnavus in complex with C6-substituted uronic isofagomine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2018-10-17 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 161.945, 102.533, 111.961 |
Unit cell angles | 90.00, 130.91, 90.00 |
Refinement procedure
Resolution | 29.001 - 1.605 |
R-factor | 0.1523 |
Rwork | 0.152 |
R-free | 0.17750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5z18 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.119 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.068 | 0.024 | 0.796 |
Rmeas | 0.076 | 0.027 | 0.894 |
Rpim | 0.033 | 0.012 | 0.401 |
Total number of observations | 908745 | ||
Number of reflections | 174580 | 18055 | 17110 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 97.2 | 99.2 | 95.5 |
Redundancy | 5.2 | 5.3 | 4.9 |
CC(1/2) | 0.999 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 70% MPD, 0.1 M HEPES, pH 7.5, 0.2 M CaCl2 |