4OWC

PtI6 binding to HEWL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-04
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.689, 78.689, 36.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.820 - 1.620
R-factor	0.17535
Rwork	0.174
R-free	0.19319
RMSD bond length	0.020
RMSD bond angle	1.809
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.820	1.650
High resolution limit [Å]	1.620	1.620
Rmerge	0.089	0.178
Number of reflections	27444
<I/σ(I)>	16.2	3.7
Completeness [%]	97.8	79
Redundancy	8.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.7	295	HEWL (60 mg) was dissolved in 0.04 M acetate buffer, pH 4.7 (1 mL) and 10% NaCl (1 mL) was added to the solution. HEWL crystals were soaked for 24hrs in a solution of K2PtI6 (10mM).