5SW3
Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino)
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 | 2016-01-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.027, 64.071, 70.453 |
| Unit cell angles | 90.00, 92.82, 90.00 |
Refinement procedure
| Resolution | 44.460 - 1.380 |
| R-factor | 0.1346 |
| Rwork | 0.133 |
| R-free | 0.16200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lbu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.944 |
| 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] | 44.460 | 1.460 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.490 | |
| Number of reflections | 81197 | |
| <I/σ(I)> | 12.4 | 2.47 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 3.7 | 3.7 |
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, |
