5JBE
4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121 complexed with an isomalto-maltopentasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-04 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.8729 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 220.441, 58.324, 151.410 |
Unit cell angles | 90.00, 114.25, 90.00 |
Refinement procedure
Resolution | 46.160 - 2.100 |
R-factor | 0.2079 |
Rwork | 0.206 |
R-free | 0.23770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID: 3KLK domains A B C IV |
RMSD bond length | 0.010 |
RMSD bond angle | 1.336 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER (2.5.1) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.160 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.126 | 0.818 |
Rmeas | 0.145 | |
Rpim | 0.071 | |
Total number of observations | 406237 | |
Number of reflections | 102167 | |
<I/σ(I)> | 7.7 | |
Completeness [%] | 99.4 | 98.9 |
Redundancy | 4 | 3.7 |
CC(1/2) | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | PEG3350, NaCl, (NH4)2)SO4 |