5Z19
The crystal structure of Ruminococcus gnavus beta-glucuronidase in complex with uronic isofagomine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 181.282, 112.359, 209.795 |
Unit cell angles | 90.00, 93.45, 90.00 |
Refinement procedure
Resolution | 29.916 - 2.503 |
R-factor | 0.1684 |
Rwork | 0.166 |
R-free | 0.20890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.909 |
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 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.106 | 0.040 | 0.705 |
Rmeas | 0.126 | 0.048 | 0.877 |
Rpim | 0.067 | 0.026 | 0.513 |
Total number of observations | 453760 | ||
Number of reflections | 142552 | 14357 | 13990 |
<I/σ(I)> | 11.1 | ||
Completeness [%] | 98.9 | 97.8 | 97.3 |
Redundancy | 3.2 | 3.1 | 2.6 |
CC(1/2) | 0.998 | 0.548 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 100mM Sodium Citrate buffer, pH 4.3, 100mM Sodium Citrate salt, 22%(w/v) PEG3350 |