Arachidonate production from DAG / acylglycerol catabolic process / Acyl chain remodeling of DAG and TAG / acylglycerol lipase / monoacylglycerol catabolic process / regulation of endocannabinoid signaling pathway / triglyceride catabolic process / monoacylglycerol lipase activity / arachidonate metabolic process / regulation of sensory perception of pain ...Arachidonate production from DAG / acylglycerol catabolic process / Acyl chain remodeling of DAG and TAG / acylglycerol lipase / monoacylglycerol catabolic process / regulation of endocannabinoid signaling pathway / triglyceride catabolic process / monoacylglycerol lipase activity / arachidonate metabolic process / regulation of sensory perception of pain / lysophospholipase activity / Triglyceride catabolism / regulation of signal transduction / lipid metabolic process / fatty acid biosynthetic process / regulation of inflammatory response / inflammatory response / endoplasmic reticulum membrane / protein homodimerization activity / membrane / plasma membrane / cytosol 類似検索 - 分子機能
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.999883 Å / 相対比: 1
反射
解像度: 1.65→73.5 Å / Num. obs: 43782 / % possible obs: 99.6 % / 冗長度: 6.77 % / CC1/2: 0.99 / Rsym value: 0.085 / Net I/σ(I): 8.47
反射 シェル
解像度: 1.65→1.75 Å / 冗長度: 6.88 % / Mean I/σ(I) obs: 0.62 / Num. unique obs: 6954 / CC1/2: 0.325 / Rsym value: 0.99 / % possible all: 99.3
-
解析
ソフトウェア
名称
バージョン
分類
BUSTER
2.11.8
精密化
XDS
データ削減
SADABS
データスケーリング
PHASER
位相決定
精密化
構造決定の手法: 分子置換 開始モデル: in house MAGL structure 解像度: 1.65→73.5 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.963 / SU R Cruickshank DPI: 0.097 / 交差検証法: THROUGHOUT / SU R Blow DPI: 0.104 / SU Rfree Blow DPI: 0.101 / SU Rfree Cruickshank DPI: 0.097
Rfactor
反射数
%反射
Selection details
Rfree
0.2378
2134
-
RANDOM
Rwork
0.2064
-
-
-
obs
0.2079
43732
99.5 %
-
原子変位パラメータ
Biso mean: 46.48 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-4.2106 Å2
0 Å2
0 Å2
2-
-
3.9839 Å2
0 Å2
3-
-
-
0.2268 Å2
Refine analyze
Luzzati coordinate error obs: 0.29 Å
精密化ステップ
サイクル: LAST / 解像度: 1.65→73.5 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2283
0
40
312
2635
拘束条件
Refine-ID
タイプ
Dev ideal
数
Restraint function
Weight
X-RAY DIFFRACTION
t_bond_d
0.008
2439
HARMONIC
2
X-RAY DIFFRACTION
t_angle_deg
0.93
3329
HARMONIC
2
X-RAY DIFFRACTION
t_dihedral_angle_d
855
SINUSOIDAL
2
X-RAY DIFFRACTION
t_gen_planes
422
HARMONIC
5
X-RAY DIFFRACTION
t_it
2439
HARMONIC
10
X-RAY DIFFRACTION
t_chiral_improper_torsion
309
SEMIHARMONIC
5
X-RAY DIFFRACTION
t_ideal_dist_contact
2431
SEMIHARMONIC
4
X-RAY DIFFRACTION
t_omega_torsion
3.24
X-RAY DIFFRACTION
t_other_torsion
15.55
LS精密化 シェル
解像度: 1.65→1.66 Å
Rfactor
反射数
%反射
Rfree
0.5022
45
-
Rwork
0.4915
-
-
obs
0.4921
875
99.54 %
精密化 TLS
Origin x: 118.159 Å / Origin y: 21.1037 Å / Origin z: 0.0476 Å