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
Symmetry
Point symmetry: C12 (12 fold cyclic)
3D reconstruction
Resolution: 2.75 Å / Resolution method: FSC 0.143 CUT-OFF / Num. of particles: 7163 / Symmetry type: POINT
Atomic model building
Protocol: AB INITIO MODEL / Space: RECIPROCAL
Atomic model building
Type: in silico model
Refinement
Resolution: 2.75→2.75 Å / Cor.coef. Fo:Fc: 0.753 / WRfactor Rwork: 0.448 / SU B: 10.117 / SU ML: 0.175 / Average fsc overall: 0.4393 / Average fsc work: 0.4393 / ESU R: 0.096 / Details: Hydrogens have not been used
Rfactor
Num. reflection
% reflection
Rwork
0.4484
7971714
-
all
0.448
-
-
Rfree
-
-
0 %
obs
-
-
100 %
Solvent computation
Solvent model: BABINET MODEL
Displacement parameters
Biso mean: 75.425 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.254 Å2
-0.008 Å2
0.006 Å2
2-
-
-0.251 Å2
0.005 Å2
3-
-
-
0.504 Å2
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
ELECTRONMICROSCOPY
r_bond_refined_d
0.006
0.012
51648
ELECTRONMICROSCOPY
r_angle_refined_deg
1.644
1.642
70092
ELECTRONMICROSCOPY
r_dihedral_angle_1_deg
7.526
5
6456
ELECTRONMICROSCOPY
r_dihedral_angle_2_deg
32.013
23.74
3048
ELECTRONMICROSCOPY
r_dihedral_angle_3_deg
12.793
15
8556
ELECTRONMICROSCOPY
r_dihedral_angle_4_deg
19.963
15
324
ELECTRONMICROSCOPY
r_chiral_restr
0.112
0.2
6624
ELECTRONMICROSCOPY
r_gen_planes_refined
0.009
0.02
40224
ELECTRONMICROSCOPY
r_nbd_refined
0.198
0.2
41784
ELECTRONMICROSCOPY
r_nbtor_refined
0.29
0.2
71554
ELECTRONMICROSCOPY
r_xyhbond_nbd_refined
0.07
0.2
2496
ELECTRONMICROSCOPY
r_metal_ion_refined
0.042
0.2
48
ELECTRONMICROSCOPY
r_mcbond_it
3.81
7.231
25932
ELECTRONMICROSCOPY
r_mcangle_it
6.941
10.824
32352
ELECTRONMICROSCOPY
r_scbond_it
5.095
7.669
25716
ELECTRONMICROSCOPY
r_scangle_it
9.05
11.229
37740
ELECTRONMICROSCOPY
r_lrange_it
17.342
130.567
200244
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
2.64-2.709
0.588
589374
0.588
589374
0.112
0.588
2.709-2.783
0.587
575558
0.587
575558
0.145
0.587
2.783-2.864
0.551
559949
0.551
559949
0.156
0.551
2.864-2.952
0.54
542166
0.54
542166
0.194
0.54
2.952-3.048
0.546
525770
0.546
525770
0.206
0.546
3.048-3.155
0.536
509769
0.536
509769
0.284
0.536
3.155-3.275
0.528
491649
0.528
491649
0.335
0.528
3.275-3.408
0.513
471579
0.513
471579
0.413
0.513
3.408-3.56
0.492
453627
0.492
453627
0.497
0.492
3.56-3.733
0.472
433425
0.472
433425
0.572
0.472
3.733-3.935
0.438
411486
0.438
411486
0.662
0.438
3.935-4.174
0.414
389472
0.414
389472
0.727
0.414
4.174-4.462
0.391
366106
0.391
366106
0.766
0.391
4.462-4.82
0.374
341215
0.374
341215
0.8
0.374
4.82-5.28
0.371
313135
0.371
313135
0.795
0.371
5.28-5.903
0.396
283751
0.396
283751
0.749
0.396
5.903-6.816
0.433
249489
0.433
249489
0.695
0.433
6.816-8.347
0.404
211269
0.404
211269
0.737
0.404
8.347-11.802
0.379
163049
0.379
163049
0.785
0.379
11.802-412.192
0.521
89174
0.521
89174
0.519
0.521
+
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