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 | 2020-02-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 85.550, 85.550, 265.152 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.070 - 2.130 |
Rwork | 0.223 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7uli |
RMSD bond length | 0.007 |
RMSD bond angle | 1.520 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.070 | 2.364 |
High resolution limit [Å] | 2.130 | 2.130 |
Number of reflections | 17134 | 857 |
<I/σ(I)> | 12 | |
Completeness [%] | 91.6 | |
Redundancy | 18.2 | |
CC(1/2) | 0.996 | 0.341 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M ammonium sulfate, 0.1 M HEPES, 35% w/v poly(acrylic acid sodium salt) 2100 |