Component-ID: 0 / Beg auth comp-ID: SER / Beg label comp-ID: SER / End auth comp-ID: ALA / End label comp-ID: ALA / Refine code: 0 / Auth seq-ID: 243 - 585 / Label seq-ID: 243 - 585
Dom-ID
Ens-ID
Auth asym-ID
Label asym-ID
1
1
A
A
2
1
B
B
1
2
A
A
2
2
C
C
1
3
A
A
2
3
D
D
1
4
B
B
2
4
C
C
1
5
B
B
2
5
D
D
1
6
C
C
2
6
D
D
NCS ensembles :
ID
1
2
3
4
5
6
-
Components
#1: Protein
InnermembraneproteinYejM
Mass: 67196.484 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Salmonella typhimurium (bacteria) / Gene: yejM, STM2228 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P40709
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9798 Å / Relative weight: 1
Reflection
Resolution: 1.84→65.7 Å / % possible obs: 99.4 % / Redundancy: 5.4 % / Net I/σ(I): 5.8
Reflection shell
Resolution: 1.84→1.9 Å
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
XDS
datareduction
XDS
datascaling
PHASER
phasing
Refinement
Resolution: 1.84→65.7 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.94 / SU B: 7.212 / SU ML: 0.099 / Cross valid method: THROUGHOUT / ESU R Free: 0.035 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24403
5005
4.9 %
RANDOM
Rwork
0.1653
-
-
-
obs
0.1692
97804
86.24 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å