6XP8
The crystal structure of TfuA involved in peptide backbone thioamidation from Methanosarcina acetivorans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2018-07-18 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.475, 36.837, 59.959 |
| Unit cell angles | 90.00, 121.77, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.650 |
| R-factor | 0.1978 |
| Rwork | 0.196 |
| R-free | 0.23390 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.231 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 10.000 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 23292 | 22138 |
| <I/σ(I)> | 21.4 | |
| Completeness [%] | 99.8 | |
| Redundancy | 7.4 | |
| CC(1/2) | 0.999 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 282 | 100 mM sodium citrate tribasic/citric acid pH 5.5 and 40% (v/v) PEG 600 |
