8GL9
Co-crystal structure of caPCNA bound to AOH1160 derivative 1LE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 |
Unit cell lengths | 197.145, 197.145, 126.979 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.890 - 2.810 |
R-factor | 0.2002 |
Rwork | 0.198 |
R-free | 0.24040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.223 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.890 | 2.910 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.119 | 1.019 |
Rmeas | 0.128 | 1.093 |
Rpim | 0.045 | 0.391 |
Total number of observations | 351626 | 34837 |
Number of reflections | 44902 | 4659 |
<I/σ(I)> | 12.9 | 2 |
Completeness [%] | 99.6 | |
Redundancy | 7.8 | 7.5 |
CC(1/2) | 0.994 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M sodium cacodylate, 0.2 M sodium chloride, 2.0 M ammonium sulfate |