6B12
Structure of Tne2 in complex with Tni2
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] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 176.690, 40.560, 95.910 |
| Unit cell angles | 90.00, 97.24, 90.00 |
Refinement procedure
| Resolution | 68.936 - 1.710 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.21630 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.893 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 68.940 |
| High resolution limit [Å] | 1.710 |
| Number of reflections | 72673 |
| <I/σ(I)> | 13.8 |
| Completeness [%] | 98.7 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 34% (v/v) PEG 400, 100 mM MgCl2, 100 mM MES-NaOH pH 7.0 |
