6CA1
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) | 0.9792 |
Spacegroup name | P 1 |
Unit cell lengths | 64.749, 70.058, 88.162 |
Unit cell angles | 111.32, 107.59, 97.67 |
Refinement procedure
Resolution | 31.545 - 1.950 |
R-factor | 0.1541 |
Rwork | 0.152 |
R-free | 0.20140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3n04 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.051 |
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 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.075 | 0.424 |
Rmeas | 0.106 | 0.599 |
Rpim | 0.075 | 0.424 |
Number of reflections | 93150 | 4384 |
<I/σ(I)> | 11.7 | 1.7 |
Completeness [%] | 96.6 | 91.5 |
Redundancy | 1.9 | 1.8 |
CC(1/2) | 0.622 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M Bis-Tris, 25% (w/v) PEG3350 |