9C1W
Structure of AKT2 with compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2024-03-08 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99987 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 76.140, 76.140, 153.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.700 - 2.000 |
R-factor | 0.2066 |
Rwork | 0.205 |
R-free | 0.24160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.940 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.700 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 35510 | 3474 |
<I/σ(I)> | 17.1 | |
Completeness [%] | 99.9 | |
Redundancy | 19.9 | |
CC(1/2) | 0.999 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M HEPES pH 7.5, 20 % w/v PEG 8000 |