7T1T
JAK2 JH2 IN COMPLEX WITH JAK292
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-03-03 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.530, 57.600, 60.980 |
Unit cell angles | 90.00, 110.81, 90.00 |
Refinement procedure
Resolution | 23.630 - 2.080 |
R-factor | 0.1833 |
Rwork | 0.181 |
R-free | 0.22820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fvp |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.630 | 23.630 | 2.200 |
High resolution limit [Å] | 2.080 | 6.050 | 2.080 |
Rmerge | 0.075 | 0.027 | 0.364 |
Rmeas | 0.088 | 0.032 | 0.433 |
Total number of observations | 61772 | ||
Number of reflections | 17077 | 721 | 2560 |
<I/σ(I)> | 14.16 | 36.59 | 3.65 |
Completeness [%] | 97.4 | 95.8 | 94.6 |
Redundancy | 3.617 | 3.442 | 3.311 |
CC(1/2) | 0.998 | 0.999 | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000 |