9C2Y
Crystal Structure of JF1cpCasp2 in complex with MUR-65
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-02 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.288, 130.246, 78.300 |
| Unit cell angles | 90.00, 104.56, 90.00 |
Refinement procedure
| Resolution | 34.040 - 1.960 |
| R-factor | 0.1982 |
| Rwork | 0.196 |
| R-free | 0.24780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.239 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.051 | 2.290 |
| High resolution limit [Å] | 1.960 | 1.963 |
| Rmerge | 0.141 | 0.712 |
| Rmeas | 0.169 | 0.859 |
| Rpim | 0.093 | 0.475 |
| Total number of observations | 6044 | |
| Number of reflections | 41032 | 1999 |
| <I/σ(I)> | 5.3 | 2 |
| Completeness [%] | 45.7 | |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Tris, pH 8.0, 0.2 M Sodium chloride, 20% w/v PEG 6000 |
