6J24

Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-05
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97892
Spacegroup name	C 1 2 1
Unit cell lengths	160.445, 62.151, 112.296
Unit cell angles	90.00, 112.88, 90.00

Refinement procedure

Resolution	47.197 - 2.244
R-factor	0.1992
Rwork	0.198
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j1o
RMSD bond length	0.005
RMSD bond angle	0.801
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.197	2.500
High resolution limit [Å]	2.244	2.244
Number of reflections	49185	10914
<I/σ(I)>	19.26
Completeness [%]	99.3
Redundancy	9.5
CC(1/2)	0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.10M bis-tris pH 7.0, 35% PEG 400