5N81
Crystal structure of an engineered TycA variant in complex with an O-propargyl-beta-Tyr-AMP analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.574, 60.245, 247.804 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.190 - 1.600 |
| R-factor | 0.1761 |
| Rwork | 0.176 |
| R-free | 0.20060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1amu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.883 |
| 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] | 49.560 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.065 | 0.757 |
| Number of reflections | 118720 | 5829 |
| <I/σ(I)> | 16.3 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM Bis-Tris (pH 5.5) containing 200 mM (NH4)2SO4, 25% (v/v) PEG3350 |
