6ZJ4
apo-Trehalose transferase (apo-TreT) 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 | 2019-04-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976250 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.519, 68.776, 112.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.705 - 2.100 |
Rwork | 0.208 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x6q |
RMSD bond length | 0.007 |
RMSD bond angle | 1.446 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.780 | 68.780 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.065 | 0.030 | 0.730 |
Rmeas | 0.084 | 0.039 | 0.980 |
Rpim | 0.053 | 0.024 | 0.648 |
Number of reflections | 27351 | 389 | 2121 |
<I/σ(I)> | 8.5 | ||
Completeness [%] | 96.8 | 91.8 | 93.6 |
Redundancy | 3.6 | 3.4 | 2.9 |
CC(1/2) | 0.997 | 0.998 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 292 | Bis-Tris Propane, PEG 3350, potassium thiocyanate, PEG 400 |