3TES
Crystal Structure of Tencon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.720, 87.580, 56.220 |
| Unit cell angles | 90.00, 103.92, 90.00 |
Refinement procedure
| Resolution | 26.560 - 2.500 |
| R-factor | 0.2432 |
| Rwork | 0.242 |
| R-free | 0.29720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.788 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.078 |
| Number of reflections | 15396 |
| Completeness [%] | 96.6 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 3.5 | 297 | 0.1 M sodium citrate, 6% PEG 4000, pH 3.5, VAPOR DIFFUSION, temperature 297K |
