JA: HK97 gp5-like major capsid protein JB: HK97 gp5-like major capsid protein JC: HK97 gp5-like major capsid protein JD: HK97 gp5-like major capsid protein JE: HK97 gp5-like major capsid protein JF: HK97 gp5-like major capsid protein JI: Capsid stabilization protein JJ: Capsid stabilization protein JK: Capsid stabilization protein KA: HK97 gp5-like major capsid protein KB: HK97 gp5-like major capsid protein KC: HK97 gp5-like major capsid protein KD: HK97 gp5-like major capsid protein KE: HK97 gp5-like major capsid protein KF: HK97 gp5-like major capsid protein KI: Capsid stabilization protein KJ: Capsid stabilization protein KK: Capsid stabilization protein LA: HK97 gp5-like major capsid protein LB: HK97 gp5-like major capsid protein LC: HK97 gp5-like major capsid protein LD: HK97 gp5-like major capsid protein LE: HK97 gp5-like major capsid protein LF: HK97 gp5-like major capsid protein LI: Capsid stabilization protein LJ: Capsid stabilization protein LK: Capsid stabilization protein MA: HK97 gp5-like major capsid protein MB: HK97 gp5-like major capsid protein MC: HK97 gp5-like major capsid protein MD: HK97 gp5-like major capsid protein ME: HK97 gp5-like major capsid protein MF: HK97 gp5-like major capsid protein MI: Capsid stabilization protein MJ: Capsid stabilization protein MK: Capsid stabilization protein NA: HK97 gp5-like major capsid protein NB: HK97 gp5-like major capsid protein NC: HK97 gp5-like major capsid protein ND: HK97 gp5-like major capsid protein NE: HK97 gp5-like major capsid protein NF: HK97 gp5-like major capsid protein NI: Capsid stabilization protein NJ: Capsid stabilization protein NK: Capsid stabilization protein P5: Hypothetical protein gp21 P6: Hypothetical protein gp21 P7: Hypothetical protein gp21 P8: Hypothetical protein gp21 P9: Hypothetical protein gp21 PA: Portal protein PB: Portal protein PC: Portal protein PD: Portal protein PE: Portal protein PF: Portal protein PG: Portal protein PH: Portal protein PI: Portal protein PJ: Portal protein PK: Portal protein PL: Portal protein PM: HK97 gp6-like/SPP1 gp15-like head-tail connector PN: HK97 gp6-like/SPP1 gp15-like head-tail connector PO: HK97 gp6-like/SPP1 gp15-like head-tail connector PP: HK97 gp6-like/SPP1 gp15-like head-tail connector PQ: HK97 gp6-like/SPP1 gp15-like head-tail connector PR: HK97 gp6-like/SPP1 gp15-like head-tail connector PS: HK97 gp6-like/SPP1 gp15-like head-tail connector PT: HK97 gp6-like/SPP1 gp15-like head-tail connector PU: HK97 gp6-like/SPP1 gp15-like head-tail connector PV: HK97 gp6-like/SPP1 gp15-like head-tail connector PW: HK97 gp6-like/SPP1 gp15-like head-tail connector PX: HK97 gp6-like/SPP1 gp15-like head-tail connector ヘテロ分子
モード: BRIGHT FIELD / 最大 デフォーカス(公称値): 2000 nm / 最小 デフォーカス(公称値): 800 nm / Cs: 2.7 mm
撮影
ID
Imaging-ID
電子線照射量 (e/Å2)
フィルム・検出器のモデル
1
1
50
TFS FALCON 4i (4k x 4k)
2
1
54.6
GATAN K3 (6k x 4k)
-
解析
EMソフトウェア
ID
名称
バージョン
カテゴリ
2
EPU
5
画像取得
4
RELION
4.0-beta
CTF補正
7
Coot
モデルフィッティング
8
UCSF ChimeraX
モデルフィッティング
9
ISOLDE
モデルフィッティング
11
REFMAC
モデル精密化
画像処理
詳細: Dataset produced as a combination of both FALCON 4i and K3 collections
CTF補正
タイプ: PHASE FLIPPING AND AMPLITUDE CORRECTION
3次元再構成
解像度: 2.68 Å / 解像度の算出法: FSC 0.143 CUT-OFF / 粒子像の数: 157388 / 対称性のタイプ: POINT
原子モデル構築
プロトコル: AB INITIO MODEL / 空間: RECIPROCAL
原子モデル構築
タイプ: in silico model
精密化
解像度: 2.68→412.192 Å / Cor.coef. Fo:Fc: 0.821 / WRfactor Rwork: 0.468 / SU B: 10.767 / SU ML: 0.217 / Average fsc overall: 0.5347 / Average fsc work: 0.5347 / ESU R: 0.175 / 詳細: Hydrogens have not been used
Rfactor
反射数
%反射
Rwork
0.4682
7619444
-
all
0.468
-
-
Rfree
-
-
0 %
obs
-
-
100 %
溶媒の処理
溶媒モデル: BABINET MODEL
原子変位パラメータ
Biso mean: 65.653 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.213 Å2
0.026 Å2
-0.045 Å2
2-
-
-0.18 Å2
-0.012 Å2
3-
-
-
0.393 Å2
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
ELECTRONMICROSCOPY
r_bond_refined_d
0.005
0.012
139338
ELECTRONMICROSCOPY
r_angle_refined_deg
1.581
1.641
189393
ELECTRONMICROSCOPY
r_dihedral_angle_1_deg
7.611
5
17653
ELECTRONMICROSCOPY
r_dihedral_angle_2_deg
32.358
23.23
8587
ELECTRONMICROSCOPY
r_dihedral_angle_3_deg
12.989
15
22077
ELECTRONMICROSCOPY
r_dihedral_angle_4_deg
18.984
15
1041
ELECTRONMICROSCOPY
r_chiral_restr
0.104
0.2
18170
ELECTRONMICROSCOPY
r_gen_planes_refined
0.009
0.02
110024
ELECTRONMICROSCOPY
r_nbd_refined
0.198
0.2
111044
ELECTRONMICROSCOPY
r_nbtor_refined
0.289
0.2
191830
ELECTRONMICROSCOPY
r_xyhbond_nbd_refined
0.077
0.2
9432
ELECTRONMICROSCOPY
r_metal_ion_refined
0.059
0.2
156
ELECTRONMICROSCOPY
r_mcbond_it
1.994
6.358
70852
ELECTRONMICROSCOPY
r_mcangle_it
3.496
9.536
88425
ELECTRONMICROSCOPY
r_scbond_it
2.754
6.674
68486
ELECTRONMICROSCOPY
r_scangle_it
4.681
9.871
100968
ELECTRONMICROSCOPY
r_lrange_it
9.291
118.996
549912
LS精密化 シェル
Refine-ID: ELECTRON MICROSCOPY / Num. reflection Rfree: _ / Total num. of bins used: 20 / % reflection obs: 100 %