8IKW

A complex structure of PGIP-PG

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	2022-01-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	68.727, 105.218, 113.821
Unit cell angles	63.93, 89.12, 86.27

Refinement procedure

Resolution	34.290 - 1.940
R-factor	0.1939
Rwork	0.192
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.915
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (v1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge	0.157	0.095	0.603
Total number of observations	447435
Number of reflections	202233	17299	17955
<I/σ(I)>	6
Completeness [%]	85.6	82.6	85.8
Redundancy	1.2	1.2	1.2
CC(1/2)	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1% w/v n-Octyl-beta-D-glucoside, 0.1M Na citrate tribasic dihydrate pH 5.5, 22% w/v PEG 3350