8BOV

X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 7.5

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	2022-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	78.580, 78.580, 37.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.564 - 1.250
Rwork	0.182
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.017
RMSD bond angle	2.358
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.564	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.046	1.069
Number of reflections	32632	1623
<I/σ(I)>	22.9	2.3
Completeness [%]	99.9	100
Redundancy	12.7	12
CC(1/2)	0.999	0.854

Crystallization Conditions

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