6D6J

Crystal structure of HIT family hydrolase from Legionella pneumophila Philadelphia 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-04
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	55.510, 56.480, 83.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.748 - 1.350
R-factor	0.1265
Rwork	0.126
R-free	0.14040
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_3092))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.748	46.748	1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.025	0.021	0.131
Rmeas	0.026	0.021	0.150
Total number of observations	949324
Number of reflections	57465	745	3640
<I/σ(I)>	68.78	199.69	8.52
Completeness [%]	98.7	100	85.6
Redundancy	16.52	36.187	3.768
CC(1/2)	1.000	0.999	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	285	Molecular Dimensions Morpheus screen, B6: 10% PEG 8.000, 20% EG: 30mM of each Sodium Fluoride, Sodium Bromide, Sodium iodide: 100mM MOPS/HEPES pH 7.5: LepnA.00754.a.B1 at 7.4mg/ml: cryo: direct: tray 297411b6: puck hop6-3