3NSX
The crystal structure of the The crystal structure of the D420A mutant of the 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 | 2010-04-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97929 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.827, 120.021, 88.247 |
Unit cell angles | 90.00, 109.10, 90.00 |
Refinement procedure
Resolution | 39.735 - 1.569 |
R-factor | 0.1548 |
Rwork | 0.153 |
R-free | 0.17870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3n04 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.067 |
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] | 40.000 | 1.600 |
High resolution limit [Å] | 1.569 | 1.570 |
Rmerge | 0.063 | 0.483 |
Number of reflections | 193344 | |
<I/σ(I)> | 29.6 | 2.3 |
Completeness [%] | 99.7 | 96 |
Redundancy | 4.1 | 3.3 |
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 |