5GIY

HSA-Palmitic acid-[RuCl5(ind)]2-

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-20
Detector	Nonius Kappa CCD
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	185.845, 38.710, 96.070
Unit cell angles	90.00, 105.12, 90.00

Refinement procedure

Resolution	46.429 - 2.543
R-factor	0.2273
Rwork	0.224
R-free	0.27860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
RMSD bond length	0.002
RMSD bond angle	0.523
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.000
High resolution limit [Å]	2.500
Number of reflections	22025
<I/σ(I)>	4
Completeness [%]	97.0
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	293	28 PEG3350, 6% glycerol, 4% DMSO.