8VSF
UIC-13-BPE extension of UIC-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-23 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.619920 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 60.163, 60.163, 8.971 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.690 - 1.110 |
R-factor | 0.2413 |
Rwork | 0.240 |
R-free | 0.24960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.906 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.690 | 1.150 |
High resolution limit [Å] | 1.110 | 1.110 |
Number of reflections | 7064 | 679 |
<I/σ(I)> | 16.54 | |
Completeness [%] | 99.3 | |
Redundancy | 24.4 | |
CC(1/2) | 1.000 | 0.736 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | Acetonitrile, water |