8VPJ
UIC-11-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 | 2022-03-06 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.6199 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 49.132, 36.182, 8.924 |
Unit cell angles | 90.00, 98.36, 90.00 |
Refinement procedure
Resolution | 24.300 - 1.500 |
R-factor | 0.22 |
Rwork | 0.217 |
R-free | 0.23350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.786 |
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] | 24.300 | 1.554 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 2458 | 234 |
<I/σ(I)> | 16.44 | |
Completeness [%] | 97.9 | |
Redundancy | 6.9 | |
CC(1/2) | 1.000 | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | Acetonitrile, water |