6SUQ
Crystal Structure of TcdB2-TccC3-TEV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.99985 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 234.430, 234.430, 143.190 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.730 - 3.700 |
| Rwork | 0.269 |
| R-free | 0.30200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o9x |
| Data reduction software | XDS (VERSION Mar 15, 2019 BUILT=20190315) |
| Data scaling software | XSCALE (VERSION Mar 15, 2019 BUILT=20190315) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.16-3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.730 | 3.832 |
| High resolution limit [Å] | 3.700 | 3.700 |
| Number of reflections | 48613 | 4808 |
| <I/σ(I)> | 5.26 | 2.14 |
| Completeness [%] | 100.0 | |
| Redundancy | 20 | |
| CC(1/2) | 0.972 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 0.1 M sodium chloride, 0.1 M magnesium chloride, 0.1 M tri-sodium citrate pH 5.5, 12 % PEG 4000 |
