5LXW

Atomic resolution X-ray crystal structure of cisplatin bound to hen egg white lysozyme stored for 5 years on the shelf

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.92819
Spacegroup name	P 43 21 2
Unit cell lengths	79.370, 79.370, 37.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.386 - 1.000
R-factor	0.1772
Rwork	0.176
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g4a
RMSD bond length	0.012
RMSD bond angle	1.274
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.390	1.050
High resolution limit [Å]	1.000	1.000
Rmerge	0.071	1.869
Number of reflections	57620
<I/σ(I)>	9.9	0.5
Completeness [%]	88.0	80.2
Redundancy	8.1	3.3
CC(1/2)	0.997	0.076

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.7	295	Hen Egg White Lysozyme (49mg, ie 3.2mM), cisplatin (3mg, ie 10mM), 462.5 microlitres of 0.04 M sodium acetate, 462.5 microlitres of 10% sodium chloride, and with 7.5% DMSO (75 microlitres ie 1mM), pH 4.7, batch crystallisation method and room temperature (295K). The crystallisation pot was kept for five years.