7TDP

Structure of Paenibacillus polymyxa GS bound to Met-Sox-P-ADP (Transition state complex) to 1.98 Angstom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.08
Spacegroup name	P 42 21 2
Unit cell lengths	164.009, 164.009, 141.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.700 - 1.980
R-factor	0.1713
Rwork	0.171
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lni
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.700	2.050
High resolution limit [Å]	1.980	1.980
Rpim	0.030	0.544
Number of reflections	132443	12010
<I/σ(I)>	15.4	1.4
Completeness [%]	98.5
Redundancy	13.1	4.6
CC(1/2)	0.999	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	30% PEG mono methyl ether 2000, 0.1 M Tris pH 8.0