Empty: NO / Enveloped: NO / Isolate: OTHER / Type: VIRION
Natural host
Organism: Haloferax gibbonsii
Buffer solution
pH: 7
Specimen
Embedding applied: NO / Shadowing applied: NO / Staining applied: NO / Vitrification applied: YES
Vitrification
Cryogen name: ETHANE
-
Electron microscopy imaging
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company
Microscopy
Model: TFS KRIOS
Electron gun
Electron source: FIELD EMISSION GUN / Accelerating voltage: 300 kV / Illumination mode: FLOOD BEAM
Electron lens
Mode: BRIGHT FIELD / Nominal defocus max: 2000 nm / Nominal defocus min: 800 nm / Cs: 2.7 mm
Image recording
ID
Imaging-ID
Electron dose (e/Å2)
Film or detector model
1
1
50
TFS FALCON 4i (4k x 4k)
2
1
54.6
GATAN K3 (6k x 4k)
-
Processing
EM software
ID
Name
Version
Category
2
EPU
5
imageacquisition
4
RELION
4.0-beta
CTFcorrection
7
Coot
modelfitting
8
UCSF ChimeraX
modelfitting
9
ISOLDE
modelfitting
11
REFMAC
modelrefinement
Image processing
Details: Dataset produced as a combination of both FALCON 4i and K3 collections
CTF correction
Type: PHASE FLIPPING AND AMPLITUDE CORRECTION
3D reconstruction
Resolution: 2.342 Å / Resolution method: FSC 0.143 CUT-OFF / Num. of particles: 165198 / Symmetry type: POINT
Atomic model building
Protocol: AB INITIO MODEL / Space: RECIPROCAL
Atomic model building
Type: in silico model
Refinement
Resolution: 2.342→2.342 Å / Cor.coef. Fo:Fc: 0.747 / WRfactor Rwork: 0.406 / SU B: 3.213 / SU ML: 0.068 / Average fsc overall: 0.5921 / Average fsc work: 0.5921 / ESU R: 0.065 / Details: Hydrogens have not been used
Rfactor
Num. reflection
% reflection
Rwork
0.4063
11158547
-
all
0.406
-
-
Rfree
-
-
0 %
obs
-
-
100 %
Solvent computation
Solvent model: BABINET MODEL
Displacement parameters
Biso mean: 81.974 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.308 Å2
0.007 Å2
-0.001 Å2
2-
-
-0.31 Å2
-0.005 Å2
3-
-
-
0.618 Å2
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
ELECTRONMICROSCOPY
r_bond_refined_d
0.005
0.012
51240
ELECTRONMICROSCOPY
r_angle_refined_deg
1.643
1.644
69576
ELECTRONMICROSCOPY
r_dihedral_angle_1_deg
6.984
5
6396
ELECTRONMICROSCOPY
r_dihedral_angle_2_deg
31.542
23.586
3012
ELECTRONMICROSCOPY
r_dihedral_angle_3_deg
13.123
15
8484
ELECTRONMICROSCOPY
r_dihedral_angle_4_deg
18.908
15
324
ELECTRONMICROSCOPY
r_chiral_restr
0.116
0.2
6576
ELECTRONMICROSCOPY
r_gen_planes_refined
0.008
0.02
39792
ELECTRONMICROSCOPY
r_nbd_refined
0.188
0.2
37776
ELECTRONMICROSCOPY
r_nbtor_refined
0.285
0.2
69690
ELECTRONMICROSCOPY
r_xyhbond_nbd_refined
0.07
0.2
2620
ELECTRONMICROSCOPY
r_metal_ion_refined
0.007
0.2
4
ELECTRONMICROSCOPY
r_mcbond_it
2.425
8.024
25692
ELECTRONMICROSCOPY
r_mcangle_it
4.324
12.023
32052
ELECTRONMICROSCOPY
r_scbond_it
3.113
8.243
25548
ELECTRONMICROSCOPY
r_scangle_it
5.384
12.202
37524
ELECTRONMICROSCOPY
r_lrange_it
10.485
147.928
197448
LS refinement shell
Refine-ID: ELECTRON MICROSCOPY / Num. reflection Rfree: _ / Total num. of bins used: 20 / % reflection obs: 100 %
Resolution (Å)
Rfactor Rwork
Num. reflection Rwork
Rfactor all
Num. reflection all
Fsc work
WRfactor Rwork
2.36-2.421
0.603
826358
0.603
826358
0.214
0.603
2.421-2.488
0.59
804369
0.59
804369
0.247
0.59
2.488-2.56
0.575
783708
0.575
783708
0.289
0.575
2.56-2.639
0.557
759269
0.557
759269
0.355
0.557
2.639-2.725
0.527
736935
0.527
736935
0.451
0.527
2.725-2.821
0.506
712281
0.506
712281
0.549
0.506
2.821-2.927
0.468
688530
0.468
688530
0.611
0.468
2.927-3.047
0.438
660795
0.438
660795
0.67
0.438
3.047-3.182
0.406
633994
0.406
633994
0.737
0.406
3.182-3.338
0.378
606558
0.378
606558
0.777
0.378
3.338-3.518
0.353
577408
0.353
577408
0.824
0.353
3.518-3.731
0.348
544969
0.348
544969
0.835
0.348
3.731-3.989
0.33
512443
0.33
512443
0.865
0.33
3.989-4.309
0.33
477256
0.33
477256
0.869
0.33
4.309-4.72
0.35
438416
0.35
438416
0.853
0.35
4.72-5.277
0.328
396888
0.328
396888
0.859
0.328
5.277-6.093
0.364
350025
0.364
350025
0.807
0.364
6.093-7.462
0.416
295004
0.416
295004
0.751
0.416
7.462-10.551
0.394
228252
0.394
228252
0.759
0.394
10.551-412.192
0.533
125011
0.533
125011
0.224
0.533
+
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