6KNV
THRb mutation with a novel agonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-31 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 106.151, 106.151, 56.624 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.472 - 2.800 |
R-factor | 0.1976 |
Rwork | 0.194 |
R-free | 0.26480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ACM |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.000 |
High resolution limit [Å] | 1.970 | 5.350 | 1.970 |
Rmerge | 0.250 | 0.088 | |
Rmeas | 0.292 | 0.109 | |
Rpim | 0.162 | 0.062 | |
Number of reflections | 10613 | 1104 | 899 |
<I/σ(I)> | 3.3 | ||
Completeness [%] | 91.6 | 85.2 | 79.6 |
Redundancy | 2.9 | 2.9 | 1.8 |
CC(1/2) | 0.978 | 0.058 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2% v/v Tacsimate pH 5.0, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 16% w/v Polyethylene glycol 3,350 |