6HSC

Structure of Human Serum Albumin in complex with Aristolochic Acid at 1.9 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	94.397, 37.872, 180.248
Unit cell angles	90.00, 105.12, 90.00

Refinement procedure

Resolution	47.200 - 1.900
R-factor	0.2404
Rwork	0.238
R-free	0.28650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ifo
RMSD bond length	0.009
RMSD bond angle	1.101
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.078	0.525
Rmeas	0.090	0.609
Rpim	0.043	0.423
Number of reflections	97374	4687
<I/σ(I)>	10	2.4
Completeness [%]	99.1	98.6
Redundancy	4.2	3.8
CC(1/2)	0.996	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	34% PEG 3350, 25mM sodium Phosphate pH 7, Aristolochic Acid I.