7X17

Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant-L-Ala

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-03-15
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	198.498, 71.610, 173.757
Unit cell angles	90.00, 110.14, 90.00

Refinement procedure

Resolution	46.590 - 2.500
R-factor	0.249
Rwork	0.246
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7x0e
RMSD bond length	0.002
RMSD bond angle	0.460
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.830	2.550
High resolution limit [Å]	2.500	2.500
Number of reflections	78940	4499
<I/σ(I)>	11.4	1.7
Completeness [%]	99.2
Redundancy	3.4
CC(1/2)	0.997	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M MES pH 6.6, 0.2M ammonium nitrate, 15% PEG 3350, 5% glycerol