5Z18
The crystal structure of Ruminococcus gnavus beta-glucuronidase
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 | 181.868, 118.182, 210.355 |
Unit cell angles | 90.00, 93.45, 90.00 |
Refinement procedure
Resolution | 29.033 - 2.495 |
R-factor | 0.1678 |
Rwork | 0.167 |
R-free | 0.20940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.238 |
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] | 2.495 | 5.380 | 2.500 |
Rmerge | 0.093 | 0.052 | 0.410 |
Rmeas | 0.109 | 0.062 | 0.474 |
Rpim | 0.055 | 0.034 | 0.235 |
Number of reflections | 151886 | 15228 | 15197 |
<I/σ(I)> | 12.4 | ||
Completeness [%] | 98.8 | 97.5 | 99.2 |
Redundancy | 3.8 | 3.3 | 3.9 |
CC(1/2) | 0.995 | 0.866 |
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 |