5ES9

Crystal structure of the LgrA initiation module in the formylation state

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	2015-01-21
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	162.057, 162.057, 206.493
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.450 - 3.770
R-factor	0.3095
Rwork	0.308
R-free	0.33100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5es6
RMSD bond length	0.005
RMSD bond angle	0.913
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.450	50.000	3.970
High resolution limit [Å]	3.770	10.550	3.900
Rmerge	0.076	0.038
Total number of observations	327215
Number of reflections	32124
<I/σ(I)>	7.3
Completeness [%]	100.0	99.7	100
Redundancy	11.2	10	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1 M AmSO4, 0.1 M bis-Tris pH 5.5, 3% PEG 3350