7DL4

Crystal structure of human serum albumin and nitrosylruthenium complex adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	184.983, 38.494, 95.516
Unit cell angles	90.00, 105.53, 90.00

Refinement procedure

Resolution	35.539 - 2.400
R-factor	0.211
Rwork	0.208
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5giy
RMSD bond length	0.009
RMSD bond angle	0.955
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.101	0.061	0.719
Rmeas	0.117	0.072	0.854
Rpim	0.058	0.036	0.451
Total number of observations	101803
Number of reflections	25509	1336	1213
<I/σ(I)>	5
Completeness [%]	98.4	96	97.4
Redundancy	4	3.7	3.3
CC(1/2)		0.992	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	32% PEG3350, 50 mM pottasium phosphate buffer