8IQ9
Crystal structure of trimeric K2-2 TSP in complex with tetrasaccharide and octasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-08-05 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 204.405, 86.357, 103.420 |
| Unit cell angles | 90.00, 110.21, 90.00 |
Refinement procedure
| Resolution | 26.950 - 1.580 |
| R-factor | 0.1436 |
| Rwork | 0.143 |
| R-free | 0.17290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8iq5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.035 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.055 | 0.579 |
| Rmeas | 0.065 | 0.677 |
| Rpim | 0.033 | 0.348 |
| Number of reflections | 230579 | 22985 |
| <I/σ(I)> | 26.6 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.8 | 3.7 |
| CC(1/2) | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 288 | 0.1 M Bicine pH 9.0, 22 % PEG-6000 |
