6R7S

Human Serum Albumin, complexed with Sulfasalazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-20
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000000
Spacegroup name	P 1 21 1
Unit cell lengths	59.297, 85.113, 60.123
Unit cell angles	90.00, 99.89, 90.00

Refinement procedure

Resolution	48.616 - 2.210
R-factor	0.182
Rwork	0.177
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4sly
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS (Jun 1, 2017)
Data scaling software	STARANISO (1.10.17beta)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.616	2.473
High resolution limit [Å]	2.208	2.208
Rmerge	0.066	0.729
Rmeas		0.850
Rpim		0.453
Number of reflections	18420	922
<I/σ(I)>	12.7	1.6
Completeness [%]	62.1	10.8
Redundancy	3.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HSA was dissolved in 50 mM potassium phosphate, 150 mM sodium chloride (pH 7.5) and concentrated to 2 mM (140 mg/mL). The HSA solution was incubated with a six fold excess of sulfasalazine at 4-5 degrees C for 4 hours.The crystal was grown by the hanging drop vapor diffusion method using a reservoir solution containing buffer (2.5 mM potassium phosphate, 7.5 mM sodium chloride, pH 7.0), 0.3% glycerol and polyethylene glycol 3350 (~30%). For crystallization 1 uL protein solution was equilibrated against 1 uL of reservoir solution.