3MKK
The crystal structure of the D307A mutant of glycoside HYDROLASE (FAMILY 31) from Ruminococcus obeum ATCC 29174 in complex with isomaltose
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 | 2010-03-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.449, 125.507, 87.867 |
| Unit cell angles | 90.00, 107.85, 90.00 |
Refinement procedure
| Resolution | 41.440 - 1.910 |
| R-factor | 0.17276 |
| Rwork | 0.170 |
| R-free | 0.21848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3FFJ |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.409 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.500 | 1.950 |
| High resolution limit [Å] | 1.910 | 1.920 |
| Rmerge | 0.082 | 0.640 |
| Number of reflections | 107674 | |
| <I/σ(I)> | 15.8 | 1.45 |
| Completeness [%] | 99.4 | 93.2 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 0.1M BIS-TRIS, 25% PEG3350, 300mM ISOMALTOSE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
