9HMQ

X-structure of the adduct formed upon reaction of the diiodido analogue of picoplatin with lysozyme (structure C)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	79.010, 79.010, 35.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.510 - 2.250
Rwork	0.224
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.538
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.510	2.280
High resolution limit [Å]	2.250	2.250
Rmerge	0.104	0.500
Rmeas	0.108	0.516
Rpim	0.026	0.123
Number of reflections	5691	271
<I/σ(I)>	19.4	9.6
Completeness [%]	99.8	98
Redundancy	18.2	9.6
CC(1/2)	0.998	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2.0 M sodium formate and 0.1 Hepes buffer pH 7.5