6LEJ
Structure of E. coli beta-glucuronidase complex with C6-propyl uronic isofagomine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2017-10-24 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 167.686, 76.551, 125.426 |
Unit cell angles | 90.00, 124.85, 90.00 |
Refinement procedure
Resolution | 29.748 - 2.617 |
R-factor | 0.2394 |
Rwork | 0.237 |
R-free | 0.27970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k46 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.531 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.340 |
High resolution limit [Å] | 2.260 | 4.860 | 2.260 |
Rmerge | 0.082 | 0.036 | 0.573 |
Rmeas | 0.092 | 0.041 | 0.642 |
Rpim | 0.040 | 0.019 | 0.284 |
Total number of observations | 325144 | ||
Number of reflections | 61283 | 6275 | 5546 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 97.9 | 97.9 | 89.1 |
Redundancy | 5.3 | 4.7 | 4.6 |
CC(1/2) | 0.997 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M MgCl2, 0.1 M Tris-HCl, pH 8.5 and 21% PEG4K |