9JEW
Crystal structure of a cupin protein (tm1459, C106V mutant) in iron (Fe) substituted form
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 | 2023-02-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.550, 57.866, 74.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.080 |
| R-factor | 0.1353 |
| Rwork | 0.134 |
| R-free | 0.16790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wsd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.026 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.140 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.082 | 0.160 |
| Number of reflections | 177500 | 26186 |
| <I/σ(I)> | 10.58 | 4.86 |
| Completeness [%] | 96.6 | 88.2 |
| Redundancy | 3.38 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 25%(w/v) Jeffamine ED-2001, 0.1 M MES |
