BIOMOLECULE: THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 3 CHAIN(S). ...BIOMOLECULE: THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 3 CHAIN(S). THE AUTHORS STATE THAT THE BIOLOGICAL UNIT IS NOT CLEAR.
Remark 400
COMPOUND THE AUTHORS STATE THE FOLLOWING: BASED ON THE PROTEIN SEQUENCE, THIS PROTEIN, AQ_TRMD, IS ...COMPOUND THE AUTHORS STATE THE FOLLOWING: BASED ON THE PROTEIN SEQUENCE, THIS PROTEIN, AQ_TRMD, IS ANNOTATED AS A TRNA (M1G37) METHYLTRANSFERASE, SAME AS ANOTHER TRNA (M1G37) METHYLTRANSFERASE OF KNOWN STRUCTURE (SUCH AS 1UAJ, 1UAK, 1UAL, 1UAM). THE MAJOR DIFFERENCE IS THAT THE LATTER STRUCTURES HAVE "TRIFOIL KNOTS", WHICH IS PROPOSED AS ESSENTIAL FOR S-ADENOSYL-L-METHIONINE BINDING, WHILE THIS STRUCTURE DOES NOT HAVE THE KNOT. THEREFORE, IT IS POSSIBLE THAT THE PROTEIN IN THIS ENTRY MAY HAVE A BIOCHEMICAL FUNCTION DIFFERENT FROM TRNA (1MG37) METHYLTRANSFERASE DESPITE THE SEQUENCE-BASED ANNOTATION AS SUCH.
構造決定の手法: 多波長異常分散 / 解像度: 2.6→20 Å / SU B: 20.353 / SU ML: 0.454 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / ESU R: 1.086 / ESU R Free: 0.377 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.30029
1312
5.2 %
RANDOM
Rwork
0.27937
-
-
-
obs
0.28048
24034
99.35 %
-
all
-
24191
-
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 29.025 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.75 Å2
0 Å2
0.16 Å2
2-
-
1.89 Å2
0 Å2
3-
-
-
-1.1 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.6→20 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
5303
0
0
76
5379
LS精密化 シェル
解像度: 2.6→2.666 Å / Total num. of bins used: 20 /
Rfactor
反射数
Rfree
0.343
90
Rwork
0.298
1734
精密化 TLS
手法: refined / Refine-ID: X-RAY DIFFRACTION
ID
L11 (°2)
L12 (°2)
L13 (°2)
L22 (°2)
L23 (°2)
L33 (°2)
S11 (Å °)
S12 (Å °)
S13 (Å °)
S21 (Å °)
S22 (Å °)
S23 (Å °)
S31 (Å °)
S32 (Å °)
S33 (Å °)
T11 (Å2)
T12 (Å2)
T13 (Å2)
T22 (Å2)
T23 (Å2)
T33 (Å2)
Origin x (Å)
Origin y (Å)
Origin z (Å)
1
2.5478
0.5433
-0.6714
4.4106
0.2262
4.9878
-0.2551
-0.0388
-0.1883
0.0163
0.2507
-0.3595
0.2735
0.3899
0.0044
0.0666
0.0124
-0.0099
0.1279
-0.0875
0.1293
-37.5218
-10.192
9.4359
2
4.1335
-0.6957
0.8279
1.505
0.1464
3.927
0.0042
-0.096
0.0696
-0.0264
-0.0145
0.001
-0.0095
0.0265
0.0103
0.055
-0.0103
0.0013
0.0545
0.0043
0.0294
-14.3445
42.2779
24.2227
3
4.1294
2.1136
-1.3969
5.7814
-1.0157
3.6675
-0.0354
-0.2038
0.0383
-0.2687
-0.0343
-0.5903
-0.0397
0.1815
0.0696
0.1551
-0.0905
0.001
0.1425
-0.1462
0.2362
-25.3947
10.2309
4.8704
4
13.2934
0.5164
2.2644
6.5572
-2.5674
9.1935
-0.2886
0.5279
-2.4543
-1.2192
-0.3898
-1.4608
1.8869
1.0217
0.6784
1.0256
-0.166
0.7649
0.552
-0.1537
1.3512
-9.614
5.791
-9.9538
5
8.8721
-0.8664
3.2591
9.6893
-1.3787
3.1473
0.1145
-0.5782
1.6154
0.4607
-0.2011
0.9953
-0.9943
0.3086
0.0867
0.4929
-0.2334
0.1856
0.3624
-0.2241
0.5112
8.5896
57.6801
48.8469
6
18.5065
-3.7492
-4.2862
4.4409
4.2074
-1.0641
-0.813
-0.7501
0.3196
0.9449
0.9271
-1.0207
1.3593
0.4979
-0.1141
1.1212
0.5794
-0.3177
0.5548
0.0003
0.53
-26.7051
-20.3982
25.9528
精密化 TLSグループ
ID
Refine-ID
Refine TLS-ID
Auth asym-ID
Label asym-ID
Auth seq-ID
Label seq-ID
1
X-RAY DIFFRACTION
1
A
A
4 - 164
4 - 164
2
X-RAY DIFFRACTION
2
B
B
304 - 464
4 - 164
3
X-RAY DIFFRACTION
3
C
C
604 - 764
4 - 164
4
X-RAY DIFFRACTION
4
A
A
179 - 235
179 - 235
5
X-RAY DIFFRACTION
5
B
B
479 - 535
179 - 235
6
X-RAY DIFFRACTION
6
C
C
779 - 835
179 - 235
精密化
*PLUS
最高解像度: 2.6 Å / 最低解像度: 20 Å / Rfactor Rfree: 0.3 / Rfactor Rwork: 0.279