9W5P
Crystal structure of KRED
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2025-01-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.446, 121.878, 143.281 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.740 - 2.530 |
| R-factor | 0.21559 |
| Rwork | 0.212 |
| R-free | 0.27498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.582 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.740 | 2.630 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.215 | 0.687 |
| Rmeas | 0.231 | 0.736 |
| Rpim | 0.082 | 0.258 |
| Total number of observations | 33648 | |
| Number of reflections | 39420 | 4384 |
| <I/σ(I)> | 5.6 | 2.5 |
| Completeness [%] | 99.7 | |
| Redundancy | 7.5 | 7.7 |
| CC(1/2) | 0.983 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.0 M sodium citrate; Tris pH 7.0; NaCl |
