7A66
structure of Pcc2 from Pyrococcus abyssi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 277 |
Detector technology | PIXEL |
Collection date | 2020-02-07 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.983988 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 76.800, 81.310, 66.480 |
Unit cell angles | 90.00, 121.59, 90.00 |
Refinement procedure
Resolution | 15.980 - 1.850 |
R-factor | 0.205 |
Rwork | 0.204 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3enc |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 15.980 | 15.980 | 1.960 |
High resolution limit [Å] | 1.850 | 5.490 | 1.850 |
Rmerge | 0.065 | 0.033 | 1.292 |
Rmeas | 0.071 | 0.036 | 1.396 |
Total number of observations | 205974 | ||
Number of reflections | 29809 | 1159 | 4675 |
<I/σ(I)> | 18.24 | 53.38 | 1.34 |
Completeness [%] | 99.1 | 97.2 | 96.9 |
Redundancy | 6.91 | 6.606 | 6.912 |
CC(1/2) | 0.999 | 0.998 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 30% PEG 3000, 0.2 M lithium sulfate, 0.1 M Tris-HCl |