8WQN
Structure of Saccharolobus solfataricus SegC (SSO0033) protein
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 | CCD |
Collection date | 2022-08-17 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99984 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.910, 70.152, 71.836 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.100 - 1.800 |
R-factor | 0.1897 |
Rwork | 0.186 |
R-free | 0.21980 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.869 |
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 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.072 | 0.043 | 0.387 |
Rmeas | 0.082 | 0.049 | 0.441 |
Rpim | 0.038 | 0.023 | 0.208 |
Total number of observations | 66122 | ||
Number of reflections | 15953 | 1622 | 1601 |
<I/σ(I)> | 10.6 | ||
Completeness [%] | 96.3 | 90.4 | 98.8 |
Redundancy | 4.1 | 4.1 | 4.1 |
CC(1/2) | 0.992 | 0.996 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Sodium acetate pH 4.6, calcium chloride, and MPD |