7K9Y
GsI-IIC RT Template-Switching Complex (twinned)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.977410 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.380, 107.415, 71.973 |
| Unit cell angles | 90.00, 113.65, 90.00 |
Refinement procedure
| Resolution | 48.790 - 3.200 |
| R-factor | 0.276 |
| Rwork | 0.271 |
| R-free | 0.32410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ar3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.323 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.790 | 48.790 | 3.420 |
| High resolution limit [Å] | 3.200 | 9.050 | 3.200 |
| Rmerge | 0.080 | 0.032 | 0.581 |
| Rmeas | 0.086 | 0.035 | 0.628 |
| Rpim | 0.033 | 0.014 | 0.237 |
| Total number of observations | 141221 | 5531 | 26120 |
| Number of reflections | 20707 | 923 | 3748 |
| <I/σ(I)> | 15 | 47.5 | 3 |
| Completeness [%] | 99.7 | 98 | 99.8 |
| Redundancy | 6.8 | 6 | 7 |
| CC(1/2) | 0.999 | 0.999 | 0.949 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Tris-HCl, sodium citrate tribasic dihydrate |
