8YZ8

Crystal structure of PtmB in complex with Adenine

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	I 41
Unit cell lengths	145.406, 145.406, 129.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.270 - 2.860
R-factor	0.2109
Rwork	0.208
R-free	0.27130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.138
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]	30.270	2.962
High resolution limit [Å]	2.860	2.860
Number of reflections	31057	3125
<I/σ(I)>	7.95
Completeness [%]	99.9
Redundancy	13.5
CC(1/2)	0.996	0.639

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