8ISM

HSA-Pt compound 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	2019-04-22
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	187.413, 38.573, 95.990
Unit cell angles	90.00, 105.11, 90.00

Refinement procedure

Resolution	92.670 - 2.760
R-factor	0.22747
Rwork	0.223
R-free	0.31221
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.783
Data reduction software	HKL-3000
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.670	3.920	2.760
High resolution limit [Å]	1.300	3.890	2.250
Rmerge	0.050	0.131	0.152
Rmeas	0.249	0.145	0.168
Number of reflections	108443	6362	12235
<I/σ(I)>	1.38
Completeness [%]	99.6
Redundancy	3.6
CC(1/2)	0.980	0.976	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3350, 50 mM potassium phosphate (pH 7.5), 5% glycerol, 4% DMSO