Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-26 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.959, 66.479, 250.843 |
Unit cell angles | 90.00, 100.10, 90.00 |
Refinement procedure
Resolution | 46.730 - 2.650 |
Rwork | 0.212 |
R-free | 0.27710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jnk |
RMSD bond length | 0.002 |
RMSD bond angle | 1.190 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.771 | 2.700 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.115 | 0.529 |
Number of reflections | 81570 | 4427 |
<I/σ(I)> | 7.5 | |
Completeness [%] | 97.9 | |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.2M Na malonate, 0.1M Bis-Tris propane pH6.5, 20% PEG3,350 |