4DD3

EVAL processed HEWL, carboplatin aqueous paratone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-01-24
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.540, 78.540, 37.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.840 - 1.700
R-factor	0.19472
Rwork	0.193
R-free	0.23535
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w1y
RMSD bond length	0.019
RMSD bond angle	1.906
Data reduction software	EVAL15 (15)
Data scaling software	EVAL15 (15)
Phasing software	PHASER (MR)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.010	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.062	0.314
Number of reflections	12462
<I/σ(I)>	32.6	7.2
Completeness [%]	94.8	94.7
Redundancy	18.3	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH	4.7	295	HEWL co-crystallized with carboplatin in 1 mL 0.05 M sodium acetate buffer and 1 mL 10% sodium chloride aqueous media, pH 4.7, BATCH, temperature 295K