7B2V
Notum complex with ARUK3003906
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 EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.090, 71.530, 78.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.010 - 1.240 |
R-factor | 0.1851 |
Rwork | 0.184 |
R-free | 0.19940 |
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] | 52.720 | 1.260 |
High resolution limit [Å] | 1.240 | 1.240 |
Number of reflections | 95831 | 4726 |
<I/σ(I)> | 16.4 | |
Completeness [%] | 100.0 | |
Redundancy | 39.6 | |
CC(1/2) | 1.000 | 0.501 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 4.2 | 296 | 1.5 M Ammonium Sulphate 0.1 M Sodium Citrate |