6KNW
THRb mutation with a novel agonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-30 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 106.301, 106.301, 57.353 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.984 - 2.670 |
R-factor | 0.1702 |
Rwork | 0.166 |
R-free | 0.24420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ACM |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.720 |
High resolution limit [Å] | 2.666 | 7.240 | 2.670 |
Rmerge | 0.080 | 0.039 | 0.550 |
Rmeas | 0.082 | 0.041 | 0.562 |
Rpim | 0.018 | 0.013 | 0.112 |
Number of reflections | 9857 | 569 | 478 |
<I/σ(I)> | 11.1 | ||
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 23.7 | 12.8 | 25.1 |
CC(1/2) | 0.998 | 0.982 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM Nacl 20% PEG 4000 |