8GLA
Co-crystal structure of caPCNA bound to the AOH1996 derivative, AOH1996-1LE
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 | 2022-05-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 |
Unit cell lengths | 199.492, 199.492, 129.413 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.590 - 3.770 |
R-factor | 0.2105 |
Rwork | 0.205 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vkx |
RMSD bond length | 0.003 |
RMSD bond angle | 0.687 |
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] | 39.590 | 4.130 |
High resolution limit [Å] | 3.770 | 3.770 |
Rmerge | 0.202 | 0.788 |
Rmeas | 0.221 | 0.862 |
Rpim | 0.090 | 0.347 |
Total number of observations | 114061 | 27122 |
Number of reflections | 19342 | 4598 |
<I/σ(I)> | 6.9 | 2.4 |
Completeness [%] | 99.6 | |
Redundancy | 5.9 | 5.9 |
CC(1/2) | 0.993 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M sodium cacodylate pH 6.5, 0.2 M sodium chloride, 2.0 M ammonium sulfate |