2G3N
Crystal structure of the Sulfolobus solfataricus alpha-glucosidase MalA in complex with beta-octyl-glucopyranoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9340 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 100.090, 174.430, 144.030 |
Unit cell angles | 90.00, 109.05, 90.00 |
Refinement procedure
Resolution | 24.160 - 2.550 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | A trimmed version of the trimer in PDB code 2G3M |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.200 | 2.630 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.065 | 0.290 |
Number of reflections | 154885 | |
<I/σ(I)> | 11.67 | 5.3 |
Completeness [%] | 95.2 | |
Redundancy | 2.6 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 10 % PEG 4000, 0.2 M sodium citrate, 0.1 M sodium acetate, 0.5 % beta-octyl-glucopyranoside, microseeding, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |