Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953731 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.111, 158.885, 209.832 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.400 - 2.600 |
Rwork | 0.210 |
R-free | 0.24420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b56 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.370 |
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] | 44.423 | 2.650 |
High resolution limit [Å] | 2.600 | 2.600 |
Rpim | 0.053 | 0.916 |
Number of reflections | 86202 | 4500 |
<I/σ(I)> | 12.9 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 26.1 | 14.5 |
CC(1/2) | 0.998 | 0.539 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 281 | 7.5 mg/mL protein against 19-22% PEG4000, 240-270 mM trilithium/triammonium/tripotassium citrate |