8HGI

Crystal structure of VNAR aGFP14 in complex with GFP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97902
Spacegroup name	P 1 21 1
Unit cell lengths	59.449, 102.797, 66.620
Unit cell angles	90.00, 116.33, 90.00

Refinement procedure

Resolution	59.710 - 1.950
R-factor	0.18878
Rwork	0.186
R-free	0.24158
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ppk 7fbj
RMSD bond length	0.008
RMSD bond angle	1.514
Data reduction software	DIALS (0.7.7)
Data scaling software	SCALEPACK (0.5.28)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.800	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.072	0.523
Rmeas	0.087	0.680
Rpim	0.048	0.428
Number of reflections	51988	3563
<I/σ(I)>	10.3	2.5
Completeness [%]	99.4	92.7
Redundancy	5.8	3.8
CC(1/2)	0.998	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	291	18%(w/v) PEG8000 0.1M Na/K PO4 pH6.8