6IX8

The structure of LepI C52A in 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	2018-05-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97930
Spacegroup name	C 1 2 1
Unit cell lengths	160.800, 62.562, 113.836
Unit cell angles	90.00, 113.34, 90.00

Refinement procedure

Resolution	28.802 - 1.659
R-factor	0.1692
Rwork	0.168
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ix3
RMSD bond length	0.018
RMSD bond angle	1.496
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.12_2829)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.658	1.658
Rmerge	0.066	1.072
Number of reflections	122483	4777
<I/σ(I)>	25.8
Completeness [%]	99.7
Redundancy	6.2
CC(1/2)		0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M ammonium chloride, 0.1M MES(pH 6), 20%(w/v) PEG 6000