7KUW
High-throughput design and refinement of stable proteins using sequence-only models
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-11 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 52.267, 52.267, 47.352 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.960 - 2.430 |
R-factor | 0.2523 |
Rwork | 0.249 |
R-free | 0.28150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Designed model |
RMSD bond length | 0.003 |
RMSD bond angle | 0.412 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.270 | 2.530 |
High resolution limit [Å] | 2.430 | 2.430 |
Number of reflections | 2746 | 299 |
<I/σ(I)> | 6.5 | 1.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 22.6 | 19.4 |
CC(1/2) | 0.987 | 0.421 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10% PEG 20000, 20% PEG MME 550, 0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Potassium sodium tartrate tetrahydrate; 0.2M Sodium oxamate and 0.1M MES/imidazole pH 6.5 |