5U3H

Solution structure of apo PCP1 from yersiniabactin synthetase

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE III		600

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC
10	1	3	3D 1H-13C HSQC-NOESY
12	1	2	3D H(CCCO)NH
13	1	2	3D (H)C(CCO)NH
14	1	2	3D HCCH-TOCSY
2	1	2	2D 1H-13C HSQC
3	1	2	3D HNCO
4	1	2	3D HN(CA)CO
5	1	2	3D HN(CO)CA
6	1	2	3D HN(COCA)CB
7	1	2	3D HNCACB
8	1	2	3D HNCA
9	1	1	3D 1H-15N NOESY-HSQC

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	6.6	1	298

Conformers

Conformers Calculated Total Number	100
Conformers Submitted Total Number	20