Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | Excillum MetalJet D2+ 70 kV |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-23 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.342 |
Spacegroup name | P 1 |
Unit cell lengths | 37.549, 46.899, 66.209 |
Unit cell angles | 86.00, 74.02, 84.76 |
Refinement procedure
Resolution | 20.500 - 1.900 |
R-factor | 0.2523 |
Rwork | 0.250 |
R-free | 0.28850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 1.737 |
Data reduction software | PROTEUM PLUS |
Data scaling software | SAINT |
Phasing software | MOLREP |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.500 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.061 | |
Rmeas | 0.068 | |
Rpim | 0.029 | |
Number of reflections | 41796 | 1612 |
<I/σ(I)> | 7.48 | |
Completeness [%] | 99.0 | |
Redundancy | 4.5 | |
CC(1/2) | 0.999 | 0.247 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | Drops were equal volumes of 15 mg/ml protein and 2.1M DL-Malic acid. The reservoir was 2.1M DL-Malic acid. Using MRC drop plates. |