7UBS
Pfs230 D1 domain in complex with 230AS-26
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.880, 205.510, 93.860 |
Unit cell angles | 90.00, 103.01, 90.00 |
Refinement procedure
Resolution | 19.980 - 2.500 |
R-factor | 0.2115 |
Rwork | 0.209 |
R-free | 0.25030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jum |
RMSD bond length | 0.005 |
RMSD bond angle | 0.748 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.980 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.090 | |
Number of reflections | 58689 | 4381 |
<I/σ(I)> | 10.81 | |
Completeness [%] | 98.5 | |
Redundancy | 2.5 | |
CC(1/2) | 0.990 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2 M ammonium sulfate, 20% PEG 3350 |