9IUV

Crystal Structure of a PtOYE Mutant (ADes-5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	86.410, 99.290, 89.970
Unit cell angles	90.00, 91.89, 90.00

Refinement procedure

Resolution	29.970 - 1.740
R-factor	0.1775
Rwork	0.177
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.319
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.350	1.790
High resolution limit [Å]	1.740	1.740
Rmerge	0.184	1.602
Number of reflections	154441	11332
<I/σ(I)>	11.9
Completeness [%]	99.4
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292.15	0.1M Tris-HCl (pH 7), 0.2 M sodium acetate, 14% (w/v)PEG 4000