9IVN
Crystal structure of KRED mutant-Y199A/N149L
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2024-01-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.486, 122.450, 141.429 |
| Unit cell angles | 90.00, 93.52, 90.00 |
Refinement procedure
| Resolution | 92.670 - 2.000 |
| R-factor | 0.20695 |
| Rwork | 0.206 |
| R-free | 0.23224 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.466 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 122.450 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.056 | 0.660 |
| Rmeas | 0.062 | 0.755 |
| Rpim | 0.026 | 0.361 |
| Total number of observations | 781172 | 28450 |
| Number of reflections | 149684 | 7388 |
| <I/σ(I)> | 14.4 | 2 |
| Completeness [%] | 99.8 | |
| Redundancy | 5.2 | 3.9 |
| CC(1/2) | 0.999 | 0.831 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350 |
