5ES6

Crystal structure of the first two domains of the initiation module of LgrA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	200
Detector technology	CCD
Collection date	2014-09-25
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	161.320, 161.320, 138.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.954 - 2.460
R-factor	0.2239
Rwork	0.223
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1amu
RMSD bond length	0.002
RMSD bond angle	0.630
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.945	63.945	2.590
High resolution limit [Å]	2.460	7.780	2.460
Rmerge		0.044	1.289
Rmeas	0.107
Rpim	0.034	0.016	0.444
Total number of observations	649606	20880	88471
Number of reflections	66592
<I/σ(I)>	12.5	30.6	1.7
Completeness [%]	100.0	99.7	100
Redundancy	9.8	8.9	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2 M Na-formate, 0.1 M Na-Acetate pH 5.3