3K46
Crystal structure of full-length E. coli beta-glucuronidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-18 |
Detector | MAR CCD 165 mm |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.745, 76.193, 125.666 |
Unit cell angles | 90.00, 125.00, 90.00 |
Refinement procedure
Resolution | 30.620 - 2.500 |
R-factor | 0.217 |
Rwork | 0.214 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k4a |
RMSD bond length | 0.003 |
RMSD bond angle | 0.815 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.497 | 2.500 |
Rmerge | 0.125 | 0.452 |
Number of reflections | 43689 | |
<I/σ(I)> | 8.4 | |
Completeness [%] | 96.5 | 82.4 |
Redundancy | 5.4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 289 | 15% PEG 3350, 0.2M Mg Acetate, 0.02% Sodium azide, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 289K |