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 |
