7X0E

Structure of Pseudomonas NRPS protein, AmbB-TC in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 65 2 2
Unit cell lengths	87.910, 87.910, 285.421
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.900 - 2.100
R-factor	0.2297
Rwork	0.228
R-free	0.27120
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.481
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]	52.060	2.210
High resolution limit [Å]	2.100	2.100
Number of reflections	38654	5494
<I/σ(I)>	9.8	2.2
Completeness [%]	98.8
Redundancy	3.4
CC(1/2)	0.980	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1M Tris pH 7.5, 11% PEG 6000, 2.5% EG/MPD, 25mM MEGA-9