8VXS
UIC-15-BPE extension of UIC-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.68879 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 60.240, 14.070, 36.500 |
Unit cell angles | 90.00, 120.86, 90.00 |
Refinement procedure
Resolution | 28.310 - 1.200 |
R-factor | 0.1368 |
Rwork | 0.132 |
R-free | 0.17580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.884 |
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] | 28.310 | 1.243 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 7727 | 727 |
<I/σ(I)> | 9.66 | |
Completeness [%] | 90.0 | |
Redundancy | 11.8 | |
CC(1/2) | 0.997 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | Acetonitrile, water |