6SYQ
ASR Alternansucrase in complex with isomaltotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.723, 135.648, 238.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 119.470 - 3.000 |
R-factor | 0.2027 |
Rwork | 0.201 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6hvg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.308 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 119.470 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.076 | 0.844 |
Number of reflections | 61391 | 9576 |
<I/σ(I)> | 8.5 | |
Completeness [%] | 92.4 | 100 |
Redundancy | 5.7 | |
CC(1/2) | 0.999 | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 285 | PEG3350 14% 0.4M NaNO3 |