6IX7

The structure of LepI C52A in complex with SAH and substrate analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	161.281, 62.133, 113.591
Unit cell angles	90.00, 113.66, 90.00

Refinement procedure

Resolution	32.961 - 1.835
R-factor	0.181
Rwork	0.181
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ix3
RMSD bond length	0.007
RMSD bond angle	0.903
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (v1.12_2829)
Refinement software	PHENIX (v1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.101	1.647
Rpim	0.035	0.555
Number of reflections	89126	6607
<I/σ(I)>	35
Completeness [%]	98.7
Redundancy	9.1
CC(1/2)	0.996	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M magnesium chloride hexahydrate, 0.1M ADA(pH 6.5), 12%(w/v) PEG 6000