6E8H

Legionella Longbeachae LeSH (Llo2327)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	114
Detector technology	IMAGE PLATE
Collection date	2012-12-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	42.260, 66.510, 68.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.630 - 1.680
R-factor	0.2137
Rwork	0.212
R-free	0.24750
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.800
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.630	1.760
High resolution limit [Å]	1.660	1.660
Rmerge	0.052	0.284
Number of reflections	22693	2832
<I/σ(I)>	68.2	16.9
Completeness [%]	97.5	85
Redundancy	55.7	50.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		278	Tris, PEG3000, sodium acetate