Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-31 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 6 |
Unit cell lengths | 92.360, 92.360, 57.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.656 - 2.304 |
Rwork | 0.242 |
R-free | 0.27750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xfx |
RMSD bond length | 0.009 |
RMSD bond angle | 2.017 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.980 | 2.440 |
High resolution limit [Å] | 2.304 | 2.304 |
Rmeas | 0.071 | |
Number of reflections | 12346 | 1951 |
<I/σ(I)> | 10.76 | 1 |
Completeness [%] | 98.4 | |
Redundancy | 3.9 | |
CC(1/2) | 0.997 | 0.503 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 9.5% PEG 3350 (v/v), 310 mM NaI, 100 mM Sodium Cacodylate. Crystals grew in 1 uL protein (3 mg/mL) + 1 uL crystallant. Cryoprotected in 20% (v/v) Glycerol. |