8DA3
Coevolved affibody-Z domain pair LL1.c1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.546, 42.449, 74.288 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.860 - 1.060 |
R-factor | 0.148 |
Rwork | 0.147 |
R-free | 0.16830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5djt |
RMSD bond length | 0.009 |
RMSD bond angle | 1.127 |
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] | 36.860 | 1.098 |
High resolution limit [Å] | 1.060 | 1.060 |
Rmerge | 0.077 | 1.562 |
Rmeas | 0.081 | 1.730 |
Rpim | 0.024 | 0.722 |
Number of reflections | 51100 | 4466 |
<I/σ(I)> | 13.77 | 1.14 |
Completeness [%] | 98.5 | 87.01 |
Redundancy | 11.2 | 5.5 |
CC(1/2) | 0.999 | 0.514 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 295 | 2.4 M Ammonium Sulfate 0.1 M bicine pH 9.0 Cryoprotected with sodium malonate |