8YZA

Crystal structure of PtmB in complex with cyclo-(L-Trp-L-Trp) and Guanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 43 2 2
Unit cell lengths	88.574, 88.574, 138.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.900 - 2.000
R-factor	0.1754
Rwork	0.192
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.900	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	38077	3717
<I/σ(I)>	20.04
Completeness [%]	99.9
Redundancy	25.9
CC(1/2)	0.999	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M Bis-Tris pH 5.5 0.2M Ammonium acetate 25% PEG3350