5L3I

Re-refinement of 4dd6; cisplatin coordination chemistry determination at hen egg white lysozyme His15

Replaces:  4DD6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-25
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	78.016, 78.016, 37.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.389 - 1.700
R-factor	0.1825
Rwork	0.181
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dd6
RMSD bond length	0.007
RMSD bond angle	0.984
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.390	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.067	0.306
Number of reflections	10869
<I/σ(I)>	35.1	8.1
Completeness [%]	83.0	100
Redundancy	25	18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.7	295	HEWL CO-CRYSTALLIZED WITH CISPLATIN IN 462.5 microL 0.05 M SODIUM ACETATE AND 462.5 microL 10% SODIUM CHLORIDE IN 75 microL DMSO, PH 4.7, BATCH, TEMPERATURE 295K.