6ERJ

Self-complemented FimA subunit from Salmonella enterica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	34.970, 104.430, 182.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.718 - 1.690
R-factor	0.1799
Rwork	0.177
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lp9
RMSD bond length	0.009
RMSD bond angle	0.859
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.718	45.718	1.730
High resolution limit [Å]	1.690	7.550	1.690
Rmerge	0.119	0.042	2.074
Rmeas	0.122	0.044	2.169
Number of reflections	38168	512	2286
<I/σ(I)>	12.06	46.67	1.3
Completeness [%]	98.6	99	81.5
Redundancy	15.163	17.176	10.999
CC(1/2)	0.999	0.999	0.439

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.255 M Ammonium Sulphate 29.5% PEG 4k 15% glycerol 18 mg/ml protein