8HU2
Rattus Syntenin-1 PDZ domain with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-04-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 71.098, 71.098, 73.072 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.090 - 1.600 |
R-factor | 0.2025 |
Rwork | 0.200 |
R-free | 0.23360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5g1e |
RMSD bond length | 0.005 |
RMSD bond angle | 0.772 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.090 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.081 | 0.449 |
Number of reflections | 28703 | 1867 |
<I/σ(I)> | 34.2 | 4.93 |
Completeness [%] | 99.8 | |
Redundancy | 14.6 | |
CC(1/2) | 0.998 | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 1.2 M sodium phosphate monobasic, 0.8 M potassium phosphate dibasic, 0.1 M CAPS/sodium hydroxide (pH 10.5), 0.2 M lithium sulfate |