8G9A
Crystal structure of a resurrected ancestor (AncRNase) of the pancreatic-type RNases 2 and 3 sub-families
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.18067 |
Spacegroup name | I 2 3 |
Unit cell lengths | 170.290, 170.290, 170.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.510 - 2.030 |
R-factor | 0.1915 |
Rwork | 0.191 |
R-free | 0.20540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.455 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.520 | 45.520 | 2.100 |
High resolution limit [Å] | 2.030 | 4.510 | 2.030 |
Rmerge | 0.089 | 0.037 | 1.874 |
Rmeas | 0.090 | 0.037 | 1.900 |
Rpim | 0.014 | 0.006 | 0.314 |
Number of reflections | 52818 | 4971 | 4808 |
<I/σ(I)> | 32.9 | 100.8 | 2.8 |
Completeness [%] | 99.8 | 100 | 100 |
Redundancy | 38.9 | 35.3 | 36.4 |
CC(1/2) | 1.000 | 1.000 | 0.802 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 1.2 M Lithium sulfate, 0.1 M Sodium acetate:HCL pH 5.5 (cryoprotectant: 20% MPD) |