8YY7

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

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
Unit cell lengths	84.970, 84.970, 136.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.610 - 2.100
Rwork	0.195
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
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]	31.610	2.150
High resolution limit [Å]	2.100	2.100
Rmerge		1.216
Number of reflections	56291	4167
<I/σ(I)>	11.5
Completeness [%]	100.0
Redundancy	13.7
CC(1/2)	0.996

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