3NUK
THE CRYSTAL STRUCTURE OF THE W169Y mutant of ALPHA-GLUCOSIDASE (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 | 2010-04-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.798, 125.531, 88.296 |
| Unit cell angles | 90.00, 107.82, 90.00 |
Refinement procedure
| Resolution | 34.696 - 2.055 |
| R-factor | 0.1972 |
| Rwork | 0.195 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n04 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.029 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.094 | 0.704 |
| Number of reflections | 87275 | |
| <I/σ(I)> | 19.8 | 1.44 |
| Completeness [%] | 98.8 | 98.1 |
| Redundancy | 3.5 | 98.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 0.1M BIS-TRIS, 25% PEG3350, 10% Isomaltose, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
