3K4A
Crystal structure of selenomethionine substituted 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 | 2008-10-12 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.997, 77.258, 126.583 |
| Unit cell angles | 90.00, 125.02, 90.00 |
Refinement procedure
| Resolution | 32.110 - 2.900 |
| R-factor | 0.24399 |
| Rwork | 0.242 |
| R-free | 0.28222 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.223 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.13) |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 6.240 | 2.900 |
| Rmerge | 0.105 | 0.060 | 0.431 |
| Number of reflections | 29542 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 99.2 | 100 | 93.7 |
| Redundancy | 7.4 | 7.4 | 6.3 |
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, Al's oil, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
