6IX3

The structure of LepI complex with SAM

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	2018-04-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97930
Spacegroup name	C 1 2 1
Unit cell lengths	161.301, 61.792, 113.318
Unit cell angles	90.00, 113.55, 90.00

Refinement procedure

Resolution	36.959 - 2.130
R-factor	0.1774
Rwork	0.176
R-free	0.21140
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.775
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (v1.12_2829)
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.130	2.130
Rmerge	0.192	2.028
Number of reflections	56044	2744
<I/σ(I)>	19.553
Completeness [%]	97.9
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2M sodium chloride, 0.1M MES(pH 6.0), 20%(w/v) PEG 6000