7EEK

Structure of Human serum albumin-Au compound complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	38.187, 92.207, 95.435
Unit cell angles	105.21, 89.68, 100.10

Refinement procedure

Resolution	46.100 - 2.500
Rwork	0.238
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (v1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.127	0.102	0.226
Rmeas	0.155	0.122	0.481
Rpim	0.088	0.066	0.305
Number of reflections	36829	1861	1788
<I/σ(I)>	12.2
Completeness [%]	96.3	86.5	83.6
Redundancy	2.6	3.3	2
CC(1/2)		0.970	0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, MPD, DMSO