6JZ8
b-glucuronidase from Ruminococcus gnavus in complex with D-glucaro 1,5-lactone
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 | 2018-08-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.560, 103.345, 112.281 |
Unit cell angles | 90.00, 130.99, 90.00 |
Refinement procedure
Resolution | 29.950 - 1.583 |
Rwork | 0.163 |
R-free | 0.17440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5z19 |
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 | 1.640 |
High resolution limit [Å] | 1.580 | 3.400 | 1.580 |
Rmerge | 0.053 | 0.041 | 0.552 |
Rmeas | 0.058 | 0.045 | 0.612 |
Rpim | 0.023 | 0.018 | 0.261 |
Total number of observations | 1120545 | ||
Number of reflections | 183679 | 18778 | 17985 |
<I/σ(I)> | 15.7 | ||
Completeness [%] | 97.1 | 98 | 95.4 |
Redundancy | 6.1 | 6.1 | 5.4 |
CC(1/2) | 0.997 | 0.842 |
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 |