7OV1

Structure of Human Serum Albumin in complex with Myristic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	95.728, 38.562, 183.557
Unit cell angles	90.00, 104.66, 90.00

Refinement procedure

Resolution	74.150 - 1.900
R-factor	0.2337
Rwork	0.232
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hsc
RMSD bond length	0.009
RMSD bond angle	0.887
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.790	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.085	1.184
Rmeas		1.341
Rpim	0.042	0.616
Number of reflections	102879	4432
<I/σ(I)>	7.5
Completeness [%]	98.7	85.6
Redundancy	5.1
CC(1/2)	0.996	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	25% PEG3350, 25mM Sodium Phosphate pH 7.0, Streak Seeding