4S3R
Amylomaltase MalQ from Escherichia coli in complex with the pseudo-heptasaccharide acarviosine-glucose-acarbose
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.98206, 0.98004, 0.97982, 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.000, 75.830, 163.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.250 - 2.100 |
R-factor | 0.1709 |
Rwork | 0.169 |
R-free | 0.20480 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.200 |
High resolution limit [Å] | 2.100 | 10.000 | 2.100 |
Rmerge | 0.075 | 0.026 | 0.584 |
Number of reflections | 48101 | 517 | 6153 |
<I/σ(I)> | 17.19 | 41.25 | 3.53 |
Completeness [%] | 100.0 | 98.7 | 100 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 12 %(w/v) PEG3350, 350 mM NaCl, 20 mM Tris-HCl, protein concentration 13 mg/ml, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |