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 |