7B45
Notum complex with ARUK3003934
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.793, 72.196, 78.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.050 - 1.380 |
R-factor | 0.1898 |
Rwork | 0.190 |
R-free | 0.19410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7arg |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.030 | 1.400 |
High resolution limit [Å] | 1.380 | 1.380 |
Number of reflections | 70022 | 3388 |
<I/σ(I)> | 18.3 | |
Completeness [%] | 99.7 | |
Redundancy | 13.2 | |
CC(1/2) | 1.000 | 0.668 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 296 | 1.5 M Ammonium Sulphate 0.1 M Sodium Citrate |