8T8K
Structure of Domain of Unknown Function 507 (DUF507) in Space Group C222(1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2022-05-20 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0722 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.714, 86.534, 79.139 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.530 - 1.880 |
R-factor | 0.2187 |
Rwork | 0.217 |
R-free | 0.25280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.468 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.530 | 1.910 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.081 | 0.618 |
Rmeas | 0.088 | 0.668 |
Rpim | 0.034 | 0.253 |
Total number of observations | 144119 | 8975 |
Number of reflections | 20928 | 1311 |
<I/σ(I)> | 14.9 | 3.2 |
Completeness [%] | 99.8 | |
Redundancy | 6.9 | 6.8 |
CC(1/2) | 0.998 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 286 | 0.01 M Co(II)Cl2 hexahydrate, 0.1 M sodium acetate pH 4.6, and 1.0 M 1,6-hexanediol |