8QDD
Structure of mBaoJin at pH 8.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-19 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.590, 120.266, 52.903 |
Unit cell angles | 90.00, 105.49, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.600 |
Rwork | 0.185 |
R-free | 0.22920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.991 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.470 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 72205 | 7279 |
<I/σ(I)> | 14.5 | |
Completeness [%] | 96.2 | 95.4 |
Redundancy | 2.8 | |
CC(1/2) | 0.990 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG 3350, 0.2M Lithium Sulfate, 0.1M Tris-Cl pH 8.5 |