Component-ID: _ / Beg auth comp-ID: LYS / Beg label comp-ID: LYS / Refine code: _
Dom-ID
Ens-ID
End auth comp-ID
End label comp-ID
Auth asym-ID
Label asym-ID
Auth seq-ID
Label seq-ID
1
1
PHE
PHE
A
A
9 - 265
11 - 267
2
1
PHE
PHE
B
B
9 - 265
11 - 267
1
2
PRO
PRO
A
A
9 - 264
11 - 266
2
2
PRO
PRO
C
C
9 - 264
11 - 266
1
3
PRO
PRO
A
A
9 - 264
11 - 266
2
3
PRO
PRO
D
D
9 - 264
11 - 266
1
4
PRO
PRO
B
B
9 - 264
11 - 266
2
4
PRO
PRO
C
C
9 - 264
11 - 266
1
5
PRO
PRO
B
B
9 - 264
11 - 266
2
5
PRO
PRO
D
D
9 - 264
11 - 266
1
6
PHE
PHE
C
C
9 - 265
11 - 267
2
6
PHE
PHE
D
D
9 - 265
11 - 267
NCS ensembles :
ID
1
2
3
4
5
6
-
Components
#1: Protein
7S-cis-cis-nepetalactolcyclase
Mass: 28362.721 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: The source organism is alos referred to as Nepeta racemosa with taxonomy ID 54731 Source: (gene. exp.) Nepeta racemosa (plant) / Plasmid: POPINF / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): SOLU References: UniProt: A0A3Q8GLE8*PLUS, Isomerases; Intramolecular transferases; Transferring other groups
Resolution: 1.4→47.16 Å / Cor.coef. Fo:Fc: 0.979 / Cor.coef. Fo:Fc free: 0.973 / SU B: 2.272 / SU ML: 0.045 / SU R Cruickshank DPI: 0.0578 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.058 / ESU R Free: 0.057 Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1682
8822
5 %
RANDOM
Rwork
0.1505
-
-
-
obs
0.1513
167049
98.51 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
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