9EOS

Human serum albumin with myristate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	38.321, 87.113, 97.471
Unit cell angles	74.44, 89.78, 78.57

Refinement procedure

Resolution	72.340 - 2.100
Rwork	0.211
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.408
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.340	72.340	2.150
High resolution limit [Å]	2.100	9.850	2.100
Rmerge	0.059	0.030	0.416
Rmeas	0.070	0.036	0.501
Rpim	0.036	0.019	0.275
Number of reflections	67849	662	4255
<I/σ(I)>	9.6	21.9	2.6
Completeness [%]	97.8	99.1	90.6
Redundancy	3.6	3.8	3.2
CC(1/2)	0.997	0.995	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	50 mM Potassium phosphate pH 7.5, 31-34 % PEG3350