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 |
