21EL
Crystal structure of a cupin protein (tm1459, H52A mutant) soaked in CuSO4 and picolinic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-06-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.899995 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.363, 55.556, 75.673 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.840 - 1.253 |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.024 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.840 | 1.330 |
| High resolution limit [Å] | 1.253 | 1.253 |
| Rmerge | 0.067 | 0.752 |
| Number of reflections | 110687 | 18039 |
| <I/σ(I)> | 9.85 | 2.1 |
| Completeness [%] | 98.2 | 98.7 |
| Redundancy | 3.47 | 3.53 |
| CC(1/2) | 0.995 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 25% w/v Jeffamine ED-2001, 0.1M MES |
