6C9X
THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose
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 | 2013-04-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.418, 124.308, 87.741 |
| Unit cell angles | 90.00, 108.50, 90.00 |
Refinement procedure
| Resolution | 29.886 - 1.457 |
| R-factor | 0.1428 |
| Rwork | 0.142 |
| R-free | 0.16230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n04 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.151 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.490 |
| High resolution limit [Å] | 1.457 | 1.460 |
| Rmerge | 0.075 | 0.625 |
| Rmeas | 0.086 | 0.718 |
| Rpim | 0.041 | 0.348 |
| Number of reflections | 226940 | 11315 |
| <I/σ(I)> | 20.8 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.2 | 4.1 |
| CC(1/2) | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M Bis-Tris, 25% (w/v) PEG3350 |
