6ZN1
Trehalose transferase bound to alpha-D-glucopyranosyl-beta-galactopyranose from Thermoproteus uzoniensis
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97630 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.010, 68.771, 110.868 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.509 - 1.750 |
Rwork | 0.202 |
R-free | 0.23450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo-Tret |
RMSD bond length | 0.005 |
RMSD bond angle | 1.309 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.054 | 1.568 |
Number of reflections | 47789 | 4717 |
<I/σ(I)> | 24.36 | 1.47 |
Completeness [%] | 99.9 | 99.94 |
Redundancy | 12.4 | |
CC(1/2) | 1.000 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.6 | 292 | Bis-Tris Propane, PEG 3350, potassium thiocyanide, PEG 400 |