Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9774 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.197, 57.800, 66.440 |
Unit cell angles | 90.00, 97.66, 90.00 |
Refinement procedure
Resolution | 49.745 - 2.604 |
Rwork | 0.217 |
R-free | 0.27660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3emn |
RMSD bond length | 0.007 |
RMSD bond angle | 1.542 |
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] | 49.745 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 11349 | 1290 |
<I/σ(I)> | 18.7 | 2.7 |
Completeness [%] | 99.0 | |
Redundancy | 9.8 | |
CC(1/2) | 0.990 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris-HCl, pH 8.5, 10% Polyethylene glycol (PEG) 400 and 16% 2-Methyl-2,4-pentanediol (MPD) |