6ZYG
Emfourin (M4in) from Serratia proteamaculans, M4 family peptidase inhibitor
Spectrometer
Experimental method: SOLUTION NMR, SOLUTION SCATTERING
Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
1 | Bruker | AVANCE | 600 |
Experiment
experiment id | conditions id | solution id | Experiment type |
1 | 1 | 1 | 2D 1H-15N HSQC |
10 | 3 | 1 | 3D HNCA |
11 | 3 | 1 | 3D HN(CO)CA |
12 | 3 | 1 | 3D HNCACB |
13 | 3 | 1 | 3D HNHA |
14 | 3 | 1 | 3D HNHB |
15 | 3 | 1 | 3D HCCH-TOCSY |
16 | 3 | 1 | 3D 1H-15N TOCSY |
17 | 3 | 1 | 3D 1H-15N NOESY |
18 | 3 | 1 | 3D 1H-13C NOESY aliphatic |
19 | 3 | 1 | 3D 1H-13C NOESY aromatic |
2 | 2 | 1 | 2D 1H-15N HSQC |
20 | 3 | 1 | 2D 1H-15N TROSY-HSQC |
21 | 3 | 1 | 2D 1H-13C HSQC aliphatic, constant time |
22 | 3 | 1 | 2D 1H-13C HSQC aromatic, constant time |
23 | 3 | 1 | 2D 1H-13C{15N} spin-echo difference CT-HSQC, experiment to measure J(C-N) |
24 | 3 | 1 | 2D 1H-13C{13CO} spin-echo difference CT-HSQC, experiment to measure J(C-CO) |
25 | 3 | 1 | 2D 1H-13C{13CA} spin-echo difference CT-HSQC, experiment to measure J(CD-CA) |
3 | 3 | 1 | 2D 1H-15N HSQC |
4 | 4 | 1 | 2D 1H-15N HSQC |
5 | 5 | 1 | 2D 1H-15N HSQC |
6 | 3 | 1 | 2D 1H-13C HSQC aliphatic |
7 | 3 | 1 | 2D 1H-13C HSQC aromatic |
8 | 3 | 1 | 3D HNCO |
9 | 3 | 1 | 3D HN(CA)CO |
NMR Sample
conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
1 | 6.5 | 1 | 298 |
2 | 6.5 | 1 | 300 |
3 | 6.5 | 1 | 303 |
4 | 6.5 | 1 | 305 |
5 | 6.5 | 1 | 308 |
Conformers
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 20 |
Refinement Statistics
Experimental method: SOLUTION NMR, SOLUTION SCATTERING
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Cell angles | |||
Spacegroup | |||
Resolution limits | - |