7P39
4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 complexed with acarbose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 107.219, 133.806, 147.866 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.290 - 2.900 |
| R-factor | 0.2943 |
| Rwork | 0.293 |
| R-free | 0.31460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Obtained from Phyre homology modeling |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.143 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.290 | 49.290 | 3.000 |
| High resolution limit [Å] | 2.900 | 11.230 | 2.900 |
| Rmerge | 0.430 | 0.116 | 1.648 |
| Rmeas | 0.454 | 0.123 | 1.744 |
| Rpim | 0.141 | 0.040 | 0.551 |
| Total number of observations | 7339 | 40856 | |
| Number of reflections | 46821 | 880 | 4526 |
| <I/σ(I)> | 3.6 | 8.3 | 1.1 |
| Completeness [%] | 98.3 | 95.7 | 98.9 |
| Redundancy | 9.1 | 8.3 | 9 |
| CC(1/2) | 0.975 | 0.996 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.4-1.7 M (NH4)2SO4, 0.1 M Bis-Tris-HCl, pH 5.5 |
