6ZJH
Trehalose transferase from Thermoproteus uzoniensis soaked with trehalose
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 | 2019-11-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976200 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.433, 68.387, 110.753 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.188 - 2.100 |
Rwork | 0.200 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo-Tret |
RMSD bond length | 0.004 |
RMSD bond angle | 1.276 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 110.750 | 110.750 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.074 | 0.026 | 1.576 |
Rmeas | 0.088 | 0.031 | 1.889 |
Rpim | 0.048 | 0.016 | 1.029 |
Number of reflections | 27421 | 433 | 2199 |
<I/σ(I)> | 11.8 | ||
Completeness [%] | 99.7 | ||
Redundancy | 6.2 | 5.1 | 6 |
CC(1/2) | 0.999 | 0.999 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 292 | Bis-Tris Propane, PEG 3350, potassium thiocyanate, PEG 400 |