8DT0
Scaffolding protein functional sites using deep learning
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-06-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.038, 88.908, 47.516 |
Unit cell angles | 90.00, 109.06, 90.00 |
Refinement procedure
Resolution | 31.590 - 2.460 |
R-factor | 0.234 |
Rwork | 0.228 |
R-free | 0.28240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Design Model |
RMSD bond length | 0.002 |
RMSD bond angle | 0.519 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.590 | 2.540 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmerge | 0.065 | 0.618 |
Rmeas | 0.092 | |
Rpim | 0.065 | |
Number of reflections | 8800 | 862 |
<I/σ(I)> | 6.6 | 1.47 |
Completeness [%] | 98.7 | 98.07 |
Redundancy | 2 | 2 |
CC(1/2) | 0.996 | 0.745 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.2 M Ammonium chloride, 0.1 M Sodium acetate pH 5, 20% (w/v) PEG 6000 |