7DHQ
Structure of Halothiobacillus neapolitanus Microcompartments Protein CsoS1D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-30 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.95373 |
Spacegroup name | P 1 |
Unit cell lengths | 68.074, 70.876, 74.975 |
Unit cell angles | 65.90, 63.40, 77.68 |
Refinement procedure
Resolution | 45.150 - 2.700 |
R-factor | 0.2042 |
Rwork | 0.201 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fch |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.152 | 45.152 | 2.640 |
High resolution limit [Å] | 2.490 | 7.370 | 2.490 |
Rmerge | 0.140 | 0.033 | 1.019 |
Rmeas | 0.198 | 0.046 | 1.441 |
Total number of observations | 132842 | ||
Number of reflections | 30912 | 2810 | 11205 |
<I/σ(I)> | 4.64 | 19.64 | 0.75 |
Completeness [%] | 92.5 | 89.2 | 85.9 |
Redundancy | 1.776 | 1.972 | 1.735 |
CC(1/2) | 0.983 | 0.997 | 0.318 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 1M Ammonium Sulfate, 0.1M Sodium Acetate |