8U1A
De novo Design of Near Infrared Fluorescent Proteins
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 | 2022-09-26 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.192, 80.443, 72.631 |
Unit cell angles | 90.00, 94.26, 90.00 |
Refinement procedure
Resolution | 72.430 - 3.280 |
R-factor | 0.2641 |
Rwork | 0.261 |
R-free | 0.31770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.687 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (dev_4761) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.430 | 3.400 |
High resolution limit [Å] | 3.280 | 3.280 |
Rmerge | 0.171 | 2.170 |
Rpim | 0.071 | 0.860 |
Number of reflections | 9537 | 926 |
<I/σ(I)> | 6.15 | 0.82 |
Completeness [%] | 98.6 | 96.56 |
Redundancy | 6.9 | 7.2 |
CC(1/2) | 0.997 | 0.643 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Trimethylamine N-oxide dihydrate, 0.1 M Tris pH 8.5, 20% w/v Polyethylene glycol monomethyl ether 2,000 |