Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-04-25 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976284 |
Spacegroup name | P 1 |
Unit cell lengths | 69.452, 104.426, 170.781 |
Unit cell angles | 92.29, 97.35, 106.55 |
Refinement procedure
Resolution | 65.870 - 1.760 |
Rwork | 0.231 |
R-free | 0.26090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6t7g |
RMSD bond length | 0.008 |
RMSD bond angle | 1.422 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.870 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 438305 | 21409 |
<I/σ(I)> | 7.6 | |
Completeness [%] | 97.2 | |
Redundancy | 3.1 | |
CC(1/2) | 0.994 | 0.302 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Ammonium tartrate pH 6.5 , 14 % PEG 3,350 |