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 |