7WVG

Crystal structure of H18 complexed with SIA28

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978
Spacegroup name	P 63
Unit cell lengths	140.427, 140.427, 195.734
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.970 - 2.600
R-factor	0.2126
Rwork	0.212
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eyj
RMSD bond length	0.005
RMSD bond angle	0.840
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	66862	6653
<I/σ(I)>	19.8
Completeness [%]	99.9
Redundancy	16.5
CC(1/2)	0.999	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Bis Tris 25 % w/v PEG 3350(pH 5.5)