6IX5

The structure of LepI complex with SAM and its substrate analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97930
Spacegroup name	C 1 2 1
Unit cell lengths	161.051, 62.239, 114.150
Unit cell angles	90.00, 113.15, 90.00

Refinement procedure

Resolution	34.987 - 1.700
R-factor	0.1647
Rwork	0.163
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ix3
RMSD bond length	0.015
RMSD bond angle	1.343
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (v1.12_2829)
Refinement software	PHENIX (v1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.057	0.876
Rpim	0.024	0.368
Number of reflections	114325	5721
<I/σ(I)>	30.7
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)		0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1M Magnesium chloride hexahydrate, 0.1M ADA(pH 6.5), 12%(w/v) PEG 6000