6LEM
Structure of E. coli beta-glucuronidase complex with C6-nonyl uronic isofagomine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2017-11-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.361, 76.404, 126.400 |
Unit cell angles | 90.00, 124.97, 90.00 |
Refinement procedure
Resolution | 28.251 - 3.188 |
R-factor | 0.2167 |
Rwork | 0.211 |
R-free | 0.26960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k46 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.662 |
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 | 3.310 |
High resolution limit [Å] | 3.188 | 6.870 | 3.200 |
Rmerge | 0.157 | 0.040 | 0.794 |
Rmeas | 0.172 | 0.044 | 0.953 |
Rpim | 0.069 | 0.018 | 0.513 |
Number of reflections | 21727 | 2274 | 2003 |
<I/σ(I)> | 5.4 | ||
Completeness [%] | 98.4 | 99.5 | 91.2 |
Redundancy | 6 | 6.1 | 2.9 |
CC(1/2) | 0.997 | 0.544 |
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 |