8J8E

Human serum albumin-palladium(II) agent complex

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	2023-01-05
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	38.356, 92.706, 95.345
Unit cell angles	74.89, 89.73, 79.88

Refinement procedure

Resolution	91.960 - 2.500
R-factor	0.2531
Rwork	0.250
R-free	0.31619
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.527
Data reduction software	HKL-3000 (7.21)
Data scaling software	DIALS
Phasing software	PHASER (2.7.0)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.960	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.177	0.177
Number of reflections	42319	3143
<I/σ(I)>	4.1
Completeness [%]	98.1
Redundancy	3.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	30% PEG 3350, 0.05M PB 7.0, 5% G, 5% DMSO