8WCJ

Crystal structure of GB3 penta mutation L5V/K10H/T16S/K19E/Y33I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	I 41 2 2
Unit cell lengths	70.130, 70.130, 53.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.060 - 1.550
R-factor	0.2078
Rwork	0.205
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.006
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.072	0.048	0.259
Rmeas	0.075	0.051	0.274
Rpim	0.022	0.016	0.088
Number of reflections	10131	574	490
<I/σ(I)>	9.2
Completeness [%]	100.0	99.7	100
Redundancy	12	10.9	9.9
CC(1/2)		0.997	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	60% v/v Tacsimate pH 7.0