8YQ4
Structure of mBaoJin2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-25 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.139, 120.298, 52.915 |
| Unit cell angles | 90.00, 106.36, 90.00 |
Refinement procedure
| Resolution | 21.350 - 1.900 |
| R-factor | 0.17212 |
| Rwork | 0.170 |
| R-free | 0.20809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.157 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.350 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.156 | 0.595 |
| Rmeas | 0.177 | 0.691 |
| Rpim | 0.081 | 0.342 |
| Total number of observations | 177801 | 9428 |
| Number of reflections | 41986 | 2636 |
| <I/σ(I)> | 8.8 | 2.5 |
| Completeness [%] | 98.6 | |
| Redundancy | 4.2 | 3.6 |
| CC(1/2) | 0.992 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0.2M Lithium sulfate, 0.1M TRIS pH 8.0, 22% PEG 4000 |
