Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 140.016, 156.570, 112.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.394 - 2.177 |
Rwork | 0.173 |
R-free | 0.22620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qyj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.759 |
Data reduction software | XDS (VERSION Mar 15, 2019) |
Data scaling software | XDS (VERSION Mar 15, 2019) |
Phasing software | PHASER (Version: 2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.310 |
High resolution limit [Å] | 2.177 | 2.177 |
Rmeas | 0.220 | 1.535 |
Number of reflections | 129462 | 20548 |
<I/σ(I)> | 9.1 | 1.3 |
Completeness [%] | 99.7 | 98.9 |
Redundancy | 6.7 | 6.4 |
CC(1/2) | 0.994 | 0.547 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2 uL reservoir (16% PEG4000, 0.1 M Tris pH 9.5, 0.1 M NaOAc, 0.018 M imidazol pH 7.0) + 2 uL protein solution (10 mg/ml protein, 10 mM Tris pH 7.5, 20 mM NaCl) + 0.66 uL extra (1 M imidazol pH 6.5) |