5YM9

Crystal Structure of the Deamidase from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 2
Unit cell lengths	122.101, 135.895, 64.578
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.809 - 2.500
R-factor	0.2031
Rwork	0.201
R-free	0.25170
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.581
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.540
High resolution limit [Å]	2.500	6.790	2.500
Rmerge	0.082	0.041	0.938
Rmeas	0.087	0.045
Rpim	0.034	0.018	0.412
Total number of observations	238747
Number of reflections	37412
<I/σ(I)>	13.8
Completeness [%]	98.4	94.3	98.1
Redundancy	6.4	6.6	5.9
CC(1/2)		0.998	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	pentaerythritol propoxylate (5/4 PO/OH)