6DFU
Tryptophan--tRNA ligase from Haemophilus influenzae.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.294, 48.677, 99.322 |
| Unit cell angles | 90.00, 101.13, 90.00 |
Refinement procedure
| Resolution | 35.500 - 2.050 |
| R-factor | 0.1897 |
| Rwork | 0.187 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n9i |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.558 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
| Rmerge | 0.122 | 0.065 | 0.642 |
| Rmeas | 0.141 | 0.076 | 0.760 |
| Rpim | 0.071 | 0.039 | 0.401 |
| Total number of observations | 160897 | ||
| Number of reflections | 42196 | 2203 | 2071 |
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 99.9 | 98.9 | 99.3 |
| Redundancy | 3.8 | 3.7 | 3.4 |
| CC(1/2) | 0.993 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 289 | 0.1 M potassium thiocyanate, 30% PEG MME 2000, 10 mM tryptophane |
