3M46
The crystal structure of the D73A mutant of glycoside HYDROLASE (FAMILY 31) from Ruminococcus obeum ATCC 29174
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.182, 122.486, 87.460 |
| Unit cell angles | 90.00, 108.60, 90.00 |
Refinement procedure
| Resolution | 82.890 - 2.660 |
| R-factor | 0.1922 |
| Rwork | 0.189 |
| R-free | 0.25788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3FFJ |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.535 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.143 | 0.742 |
| Number of reflections | 36534 | |
| <I/σ(I)> | 8.8 | 1.45 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.1M BIS-TRIS, 25% PEG3350, 5mM maltose, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
