6C25

Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila Philadelphia 1 in complex with GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-29
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	68.810, 90.260, 60.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.435 - 1.900
R-factor	0.1765
Rwork	0.174
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native structure PDB entry 6bs7
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.435	40.435	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.066	0.032	0.534
Rmeas	0.072	0.035	0.665
Number of reflections	30104	393	2168
<I/σ(I)>	16.09	43.85	2.08
Completeness [%]	99.9	98.2	99
Redundancy	5.835	6.097	2.733
CC(1/2)	0.999	0.999	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	285	Molecular Dimensions Morpheus screen B4: 12.5% w/V PEG 1000, 12.5% w/V PEG 3350, 12.5% V/V MPD: 30mM of each NaF, NaBr, NaI: 100mM MES/imidazole pH 6.5: LepnA.00888.a.B1.PW38319 at 18.4mg/ml + 2mM MgCl2 + 2mM GDP: cryo: direct: tray 297195 b4: puck esb5-10