5V3C
Crystal structure of TGT in complex with 4-(aminomethane)cyclohexane-1-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.746, 63.739, 70.430 |
| Unit cell angles | 90.00, 92.59, 90.00 |
Refinement procedure
| Resolution | 44.328 - 1.419 |
| R-factor | 0.1346 |
| Rwork | 0.134 |
| R-free | 0.15540 |
| 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] | 44.328 | 1.510 |
| High resolution limit [Å] | 1.419 | 1.420 |
| Rmerge | 0.551 | |
| Number of reflections | 73715 | |
| <I/σ(I)> | 15.59 | 2.06 |
| Completeness [%] | 99.4 | 98.4 |
| 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 |
