8RGL

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

Replaces:  7OV6

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	95.247, 38.189, 181.918
Unit cell angles	90.00, 105.10, 90.00

Refinement procedure

Resolution	45.980 - 1.900
R-factor	0.233
Rwork	0.230
R-free	0.28070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.799
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.980	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	99387	4618
<I/σ(I)>	10.9
Completeness [%]	98.5
Redundancy	4.1
CC(1/2)	0.997	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	25% PEG 3350, 25 mM Sodipum Phosphate pH 7.0