8JQT

Crystal structure of U03-GPAKGIEYD

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	2023-06-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	126.282, 126.282, 65.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.780 - 1.990
R-factor	0.1923
Rwork	0.191
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.002
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.030
High resolution limit [Å]	1.990	5.390	2.000
Rmerge	0.232	0.153	0.821
Rmeas	0.243	0.160	0.880
Rpim	0.072	0.047	0.310
Number of reflections	35107	1824	1750
<I/σ(I)>	3.2
Completeness [%]	99.9	100	98.8
Redundancy	11.6	12.4	7.6
CC(1/2)	0.974	0.991	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		277.15	BIS-TRIS pH6.5 PEG3350