8YK9
Structure of Saccharolobus solfataricus SegC (SSO0033) protein, ATP soak
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-09-14 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.000030 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 159.233, 159.233, 127.871 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.670 - 3.400 |
R-factor | 0.1999 |
Rwork | 0.197 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.381 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.520 |
High resolution limit [Å] | 3.400 | 7.290 | 3.400 |
Rmerge | 0.078 | 0.035 | 0.640 |
Rmeas | 0.085 | 0.039 | 0.702 |
Rpim | 0.034 | 0.015 | 0.283 |
Total number of observations | 145208 | ||
Number of reflections | 23100 | 2469 | 2234 |
<I/σ(I)> | 18.1 | ||
Completeness [%] | 99.8 | 99.1 | 99.9 |
Redundancy | 6.3 | 5.5 | 6.2 |
CC(1/2) | 0.986 | 0.998 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Tris-HCl pH 8.5 and potassium thiocyanate. |