8A0H
Crystal structure of the E25A mutant of the Orange Carotenoid Protein X from Gloeobacter kilaueensis JS1 complexed with echinenone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-25 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.735, 61.366, 145.075 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.540 - 1.730 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.19290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Alphafold |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.084 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.540 | 72.540 | 1.760 |
| High resolution limit [Å] | 1.730 | 8.990 | 1.730 |
| Rmerge | 0.088 | 0.041 | 0.361 |
| Rmeas | 0.102 | 0.048 | 0.425 |
| Rpim | 0.049 | 0.025 | 0.216 |
| Total number of observations | 144313 | 1028 | 6687 |
| Number of reflections | 35299 | 281 | 1812 |
| <I/σ(I)> | 10.3 | 21.8 | 3.5 |
| Completeness [%] | 97.9 | 89.1 | 92.7 |
| Redundancy | 4.1 | 3.7 | 3.7 |
| CC(1/2) | 0.994 | 0.992 | 0.839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0.2 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 30% w/v Polyethylene glycol monomethyl ether 5000 |
