6J1O

Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus

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	2018-01-11
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97855
Spacegroup name	C 1 2 1
Unit cell lengths	160.240, 62.080, 113.620
Unit cell angles	90.00, 113.22, 90.00

Refinement procedure

Resolution	53.758 - 1.700
R-factor	0.1817
Rwork	0.181
R-free	0.19950
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.853
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]	53.758	1.719
High resolution limit [Å]	1.700	1.700
Number of reflections	110825	10282
<I/σ(I)>	23.96
Completeness [%]	98.1
Redundancy	4.6
CC(1/2)	0.999	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.15M bis-tris pH 7.0, 40% PEG 400