8VPT
UIC-14-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) | 0.6199 |
Spacegroup name | P 1 |
Unit cell lengths | 14.050, 16.560, 28.675 |
Unit cell angles | 97.99, 95.02, 90.10 |
Refinement procedure
Resolution | 16.400 - 0.940 |
R-factor | 0.1673 |
Rwork | 0.165 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.723 |
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] | 16.400 | 0.974 |
High resolution limit [Å] | 0.940 | 0.940 |
Number of reflections | 13900 | 1466 |
<I/σ(I)> | 9.63 | |
Completeness [%] | 83.8 | |
Redundancy | 3.5 | |
CC(1/2) | 0.992 | 0.962 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | acetonitrile water |