6P5T

Surface-layer (S-layer) RsaA protein from Caulobacter crescentus bound to strontium and iodide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-21
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	210.729, 80.564, 221.833
Unit cell angles	90.00, 117.44, 90.00

Refinement procedure

Resolution	49.300 - 2.100
R-factor	0.2074
Rwork	0.205
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n8p
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.300	49.300	2.140
High resolution limit [Å]	2.100	11.500	2.100
Rmerge	0.229	0.057	1.834
Rmeas	0.250	0.062	2.025
Rpim	0.100	0.025	0.839
Total number of observations	2446368	14506	100730
Number of reflections	384732	2492	18372
<I/σ(I)>	8.1	29.8	1.3
Completeness [%]	99.8	98.6	96.8
Redundancy	6.4	5.8	5.5
CC(1/2)	0.994	0.997	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	8.5% PEG 8000, 100 mM Tris-HCl, 150 mM strontium chloride