5L3H

Re-refinement of 4dd4; cisplatin coordination chemistry determination at hen egg white lysozyme His15 with standard uncertainties

Replaces:  4DD4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-17
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	78.832, 78.832, 37.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.929 - 1.700
R-factor	0.2041
Rwork	0.202
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dd4
RMSD bond length	0.005
RMSD bond angle	0.719
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.930	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.079	0.313
Number of reflections	11826
<I/σ(I)>	22.2	5.2
Completeness [%]	88.6	100
Redundancy	14.6	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.7	295	CRYSTALLIZATION CONDITIONS: 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 MEDIA, PH 4.7, BATCH, TEMPERATURE 295K.