8KCV

Crystal structure of UDA01-CAAMDDFQL

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	2023-04-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	91.446, 108.524, 125.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.390
R-factor	0.2088
Rwork	0.207
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.040
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.520	2.510
High resolution limit [Å]	2.390	2.390
Rmerge	0.135	0.692
Rmeas	0.151	0.769
Rpim	0.065	0.327
Total number of observations	204163	31003
Number of reflections	41604	6216
<I/σ(I)>	9.3	2.4
Completeness [%]	83.1
Redundancy	4.9	5
CC(1/2)	0.994	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		277.15	BIS-TRIS pH7.5 PEG3350