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