6IX9

The structure of LepI C52A in complex with SAM and leporin C

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 S 6M
Wavelength(s)	0.97930
Spacegroup name	C 1 2 1
Unit cell lengths	161.348, 62.255, 113.874
Unit cell angles	90.00, 113.49, 90.00

Refinement procedure

Resolution	35.955 - 1.776
R-factor	0.1864
Rwork	0.185
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ix3
RMSD bond length	0.010
RMSD bond angle	1.140
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	1.810
High resolution limit [Å]	1.770	1.770
Rmerge	0.095	1.932
Rpim	0.027	0.616
Number of reflections	99372	4888
<I/σ(I)>	33.6
Completeness [%]	99.8
Redundancy	13
CC(1/2)	1.000	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M sodium citrate/citric acid(pH 5.5), 15%(w/v) PEG 10000, 2%(v/v) dioxane