4FNT
Crystal structure of GH36 alpha-galactosidase AgaA A355E D548N from Geobacillus stearothermophilus in complex with raffinose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 149.680, 149.680, 234.770 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.887 - 2.600 |
R-factor | 0.1722 |
Rwork | 0.170 |
R-free | 0.22120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.742 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.389 | |
Number of reflections | 92575 | |
<I/σ(I)> | 12.22 | 2.8 |
Completeness [%] | 98.5 | 99.7 |
Redundancy | 3.3 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 289 | 20% polyethylene glycol 3350, 0.2M potassium acetate, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 289K |