6CA3
THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol
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) | 0.9191 |
Spacegroup name | P 1 |
Unit cell lengths | 64.685, 70.826, 88.103 |
Unit cell angles | 111.32, 107.42, 97.66 |
Refinement procedure
Resolution | 31.742 - 1.743 |
R-factor | 0.1552 |
Rwork | 0.153 |
R-free | 0.19110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nuk |
RMSD bond length | 0.006 |
RMSD bond angle | 1.042 |
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] | 32.000 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.053 | 0.594 |
Rmeas | 0.074 | 0.840 |
Rpim | 0.053 | 0.594 |
Number of reflections | 131158 | 6511 |
<I/σ(I)> | 21.8 | 1.5 |
Completeness [%] | 96.2 | 95.4 |
Redundancy | 2 | 1.9 |
CC(1/2) | 0.568 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1 M Bis-Tris, 25% (w/v) PEG 3350 |