6XV0

lauric acid functionalized hexamolybdoaluminate bound to human serum albumin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-18
Detector	Bruker PHOTON II
Wavelength(s)	1.541840
Spacegroup name	C 1 2 1
Unit cell lengths	184.650, 38.540, 96.060
Unit cell angles	90.00, 105.11, 90.00

Refinement procedure

Resolution	31.890 - 3.000
Rwork	0.269
R-free	0.31120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n5u
RMSD bond length	0.002
RMSD bond angle	0.389
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.890	3.107
High resolution limit [Å]	3.000	3.000
Number of reflections	13029	1252
<I/σ(I)>	14.37
Completeness [%]	96.1
Redundancy	4.3
CC(1/2)	0.995	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	50 mM potassium phosphate (pH 7.0), 150 mM KCl, 22-26% PEG3350, 125 mg/ml protein