5O96

Structure of the putative methyltransferase Lpg2936 from Legionella pneumophila in complex with the bound cofactor SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.99999
Spacegroup name	I 1 2 1
Unit cell lengths	104.482, 98.740, 225.783
Unit cell angles	90.00, 91.76, 90.00

Refinement procedure

Resolution	49.370 - 2.300
R-factor	0.1849
Rwork	0.182
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o95
RMSD bond length	0.008
RMSD bond angle	1.005
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.174
Number of reflections	101902	5031
<I/σ(I)>	4.3	1.2
Completeness [%]	97.0	97.2
Redundancy	3.9	4
CC(1/2)	0.983	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	Based on the C1 condition of the Morpheus screen 10% w/v PEG 20 000 20% v/v PEG MME 550, 0.03 M of each NPS 0.1 M MES/imidazole pH 6.5