9JNR
McyI-MCLR co-crystal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.122, 101.576, 131.201 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.050 - 2.440 |
| R-factor | 0.1871 |
| Rwork | 0.185 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.755 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.050 | 2.710 |
| High resolution limit [Å] | 2.440 | 2.570 |
| Number of reflections | 39076 | 1948 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 93.7 | |
| Redundancy | 11.5 | |
| CC(1/2) | 0.994 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.05M Tris pH 8.5, 0.1M Li sulfate, 18% PEG 3350 |
