5A10
The crystal structure of Ta-TFP, a thiocyanate-forming protein involved in glucosinolate breakdown (space group C2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-05 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.390, 48.960, 68.270 |
| Unit cell angles | 90.00, 109.71, 90.00 |
Refinement procedure
| Resolution | 19.875 - 1.423 |
| R-factor | 0.1583 |
| Rwork | 0.157 |
| R-free | 0.17560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vpj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.218 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.470 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.060 | 0.730 |
| Number of reflections | 68089 | |
| <I/σ(I)> | 18.52 | 2.14 |
| Completeness [%] | 97.7 | 89.5 |
| Redundancy | 6.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 0.1 M SODIUM CITRATE PH 5.6, 20% (W/V) PEG 4000, 0.1 M AMMONIUM ACETATE |
