8UB6
Crystal Structure of a reconstructed Kaede-type Red Fluorescent Protein, LEA H62X, containing 3-methylhistidine at position 62
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 46.778, 76.733, 120.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.970 - 1.700 |
| R-factor | 0.21101 |
| Rwork | 0.209 |
| R-free | 0.23983 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.497 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.590 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.056 | 3.987 |
| Rmeas | 0.060 | 4.242 |
| Rpim | 0.020 | 1.425 |
| Total number of observations | 209736 | 10899 |
| Number of reflections | 24128 | 1279 |
| <I/σ(I)> | 18.8 | 0.6 |
| Completeness [%] | 99.7 | |
| Redundancy | 8.7 | 8.5 |
| CC(1/2) | 1.000 | 0.367 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1:1 ratio of well solution (25% PEG + 0.2 M MgCl2) and protein solution (LEA H62X at 15 mg/mL in 10 mM HEPES pH 7.5 + 75 mM NaCl). |
