7X4S

Crystal structure of Rhodostomin ARGDMP mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	79.499, 61.334, 34.644
Unit cell angles	90.00, 105.30, 90.00

Refinement procedure

Resolution	29.810 - 1.800
R-factor	0.22722
Rwork	0.223
R-free	0.30340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rqg
RMSD bond length	0.012
RMSD bond angle	1.486
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	HKL-2000 (2.3.10)
Phasing software	HKL-3000 (2.3.10)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.115	0.424
Number of reflections	14783	1464
<I/σ(I)>	18.1
Completeness [%]	99.0
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M (NH4)2SO4, 30% PEG 8000