9KSZ

Complex structure of PcApiGT/UDP

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	2024-01-24
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	75.779, 75.779, 164.505
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.080 - 2.650
R-factor	0.2485
Rwork	0.247
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.490
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.080	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.101	0.830
Rmeas	0.105	0.869
Rpim	0.030	0.253
Total number of observations	201440	24805
Number of reflections	16517	2134
<I/σ(I)>	17	3.1
Completeness [%]	99.8
Redundancy	12.2	11.6
CC(1/2)	0.999	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	25% w/v polyethylene glycol 3350, 0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5