5UTI
Crystal Structure of TGT in complex with fragment in preQ1 pocket
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-09 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.158, 64.322, 70.851 |
Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
Resolution | 44.513 - 1.360 |
R-factor | 0.1356 |
Rwork | 0.135 |
R-free | 0.15820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lbu |
RMSD bond length | 0.007 |
RMSD bond angle | 0.948 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.513 | 1.440 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.445 | |
Number of reflections | 81480 | |
<I/σ(I)> | 11.56 | 2.31 |
Completeness [%] | 95.0 | 92.5 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 13% PEG 8000, 100MM MES, 1MM DTT, 10% DMSO |