8RGK

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

Replaces:  6HSC

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	0.2427
Rwork	0.240
R-free	0.28920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.644
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	97365	9562
<I/σ(I)>	10.93
Completeness [%]	98.8
Redundancy	4.2
CC(1/2)	0.996	0.796

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.