4NSJ

Carboplatin binding to HEWL in 2M NH4formate, 0.1M HEPES at pH 7.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-08
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	77.496, 77.496, 37.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.500 - 1.700
R-factor	0.20189
Rwork	0.199
R-free	0.25757
Structure solution method	SAD
Starting model (for MR)	2w1y
RMSD bond length	0.018
RMSD bond angle	2.156
Data reduction software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.500	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.212	0.942
Number of reflections	12367
<I/σ(I)>	19.3	1.4
Completeness [%]	94.7	98.7
Redundancy	63.5	30.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20mg of HEWL (0.6mM) was dissolved in 1ml distilled water. 1.4mg of carboplatin (1.8mM) was added with 75 l DMSO. 2 l of this was mixed with 2 l of resevoir solution 2M NH4formate, 0.1M HEPES at pH 7.5 , VAPOR DIFFUSION, HANGING DROP, temperature 298K