6MSO

Crystal structure of mitochondrial fumarate hydratase from Leishmania major in a complex with inhibitor thiomalate

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
格子定数 [Å]	78.741, 138.443, 138.073
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	48.881 - 2.053
R因子	0.1668
Rwork	0.159
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l2r
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	1.021
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	2.090
分解能 [Å] (高)	2.050	2.050
独立反射数	180831
<I/σ(I)>	9.75	1.33
完全性 [%]	98.6
冗長性	6.3
CC(1/2)		0.706

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION	7.5	298	0.1 M HEPES pH 7.5, 2.2 M ammonium sulfate, 4 % PEG 400, 10 mM RS-thiomalate