7UR8
170_h_ob, a small beta-barrel de novo designed protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-14 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 26.071, 40.921, 48.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.330 - 1.500 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Designed model |
RMSD bond length | 0.006 |
RMSD bond angle | 0.753 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.330 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.222 | |
Rpim | 0.066 | |
Number of reflections | 15481 | 633 |
<I/σ(I)> | 10.93 | 0.74 |
Completeness [%] | 96.8 | |
Redundancy | 12.1 | |
CC(1/2) | 0.996 | 0.455 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MIB buffer pH 7 25% PEG 1500 |