3K4D
Crystal structure of E. coli beta-glucuronidase with the glucaro-d-lactam inhibitor bound
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 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 167.653, 76.971, 125.468 |
Unit cell angles | 90.00, 124.98, 90.00 |
Refinement procedure
Resolution | 29.570 - 2.393 |
R-factor | 0.2061 |
Rwork | 0.205 |
R-free | 0.23682 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k4a |
RMSD bond length | 0.010 |
RMSD bond angle | 1.521 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.393 | 2.393 |
Rmerge | 0.082 | 0.422 |
Number of reflections | 51884 | |
Completeness [%] | 98.3 | 93.9 |
Redundancy | 7 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 289 | 15% PEG 3350, 0.2 M Mg Acetate, 0.02% Sodium azide, 500 mM Glucaro-d-lactam, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 289K |