5AIB

ligand complex structure of soluble epoxide hydrolase

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+
Temperature [K]	100
Detector technology	CCD
Detector	RIGAKU A200-CU
Spacegroup name	P 65 2 2
格子定数 [Å]	92.983, 92.983, 244.475
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	80.530 - 1.950
R因子	0.2063
Rwork	0.204
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ahx
結合長の平均二乗偏差(RMSD) [Å]	0.010
結合角の平均二乗偏差(RMSD) [度]	1.150
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	244.480	2.000
分解能 [Å] (高)	1.950	1.950
Rmerge_l_obs	0.080	0.920
独立反射数	46311
<I/σ(I)>	25.4	2.9
完全性 [%]	99.6	96.3
冗長性	11.1	8.3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1