5O95

Structure of the putative methyltransferase Lpg2936 from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-12
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9650
Spacegroup name	P 1 21 1
Unit cell lengths	62.785, 144.777, 64.086
Unit cell angles	90.00, 100.13, 90.00

Refinement procedure

Resolution	47.560 - 1.491
R-factor	0.1806
Rwork	0.179
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nxz
RMSD bond length	0.007
RMSD bond angle	0.857
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]	47.560	1.570
High resolution limit [Å]	1.490	1.490
Rmerge	0.044	0.752
Number of reflections	173267
<I/σ(I)>	10.6	1.1
Completeness [%]	95.0	89.3
Redundancy	2.4	2.3
CC(1/2)	0.999	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	Optimised from morpheus screen: Mes/Imidazole pH 6.5 0.1 M EDO_Peg8K 27% Alcohols: 0.14 M