8VPS
UIC-12-BPE extension of UIC-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2023-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.729317 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 51.308, 9.960, 19.974 |
Unit cell angles | 90.00, 94.02, 90.00 |
Refinement procedure
Resolution | 19.920 - 1.000 |
R-factor | 0.1302 |
Rwork | 0.128 |
R-free | 0.14620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.846 |
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] | 19.920 | 1.036 |
High resolution limit [Å] | 1.000 | 1.000 |
Number of reflections | 5614 | 525 |
<I/σ(I)> | 15.6 | |
Completeness [%] | 98.1 | |
Redundancy | 6.5 | |
CC(1/2) | 0.999 | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | DMF, water |