2KAX

Solution structure and dynamics of S100A5 in the apo and Ca2+ -bound states

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE	Bruker Avance	900
2	Bruker	AVANCE	Bruker Avance	700
3	Bruker	AVANCE	Bruker Avance	500

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC
10	2	2	3D 1H-13C NOESY
11	1	1	2D 1H-1H NOESY
12	1	1	1H-15N NOE
13	1	1	15N R1
14	1	1	15N R2
2	2	2	2D 1H-13C HSQC
3	2	2	3D CBCA(CO)NH
4	2	2	3D HNCO
5	2	2	3D HNCA
6	2	2	3D HNCACB
7	2	2	3D HCCH-TOCSY
8	2	2	3D HBHA(CO)NH
9	1	1	3D 1H-15N NOESY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	6.5	ambient	298
2	6.5	ambient	298

Conformers

Conformers Calculated Total Number	350
Conformers Submitted Total Number	31