5YTI

Crystal structure of flagellar hook associated protein-3 (HAP-3: Q5ZW61_LEGPH) from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.987
Spacegroup name	P 42 21 2
Unit cell lengths	107.687, 107.687, 90.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.150 - 2.750
R-factor	0.2382
Rwork	0.235
R-free	0.28840
Structure solution method	AB INITIO PHASING
RMSD bond length	0.013
RMSD bond angle	1.606
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.150	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.089	0.027	0.938
Rmeas	0.094	0.029	0.994
Rpim	0.032	0.010	0.325
Number of reflections	14351	821	697
<I/σ(I)>	7.5
Completeness [%]	100.0	99.3	100
Redundancy	8.7	7.6	9.1
CC(1/2)		0.999	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	30% PEG 400, 0.1M Cadmium Chloride hydrate, 0.1M Sodium Acetate Trihydrate, pH 4.6