8GQP
Complex of D-protein binder D-19437 and L-target L-Pep-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-08-25 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 53.395, 82.282, 35.323 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.400 - 2.000 |
R-factor | 0.2192 |
Rwork | 0.219 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 (7.8) |
Data scaling software | HKL-2000 (7.8) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.400 | 24.300 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.051 | 0.026 | 0.396 |
Rmeas | 0.059 | 0.032 | 0.475 |
Rpim | 0.028 | 0.018 | 0.256 |
Number of reflections | 10862 | 625 | 456 |
<I/σ(I)> | 11.1 | ||
Completeness [%] | 98.9 | 98.4 | 88 |
Redundancy | 4.2 | 3.3 | 3.1 |
CC(1/2) | 0.998 | 0.998 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 291.15 | 20%(w/v) PEG 8000, 100mM Tris base/Hydrochloric acid pH7.9, 100mM Magnesium chloride, 20%(v/v) PEG400 |