4ZHL

The crystal structure of mupain-1-IG in complex with murinised human uPA at pH7.4

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	H 3
格子定数 [Å]	122.057, 122.057, 42.555
格子定数 [度]	90.00, 90.00, 120.00

精密化法

分解能	30.530 - 2.060
R因子	0.22184
Rwork	0.220
R-free	0.26237
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]	1.265
Data scaling software	HKL-2000
Refinement software	REFMAC (5.7.0029)

Quality characteristics

	Overall
分解能 [Å] (低)	50.000
分解能 [Å] (高)	2.050
独立反射数	14528
<I/σ(I)>	22.7
完全性 [%]	99.1
冗長性	3.4

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	2.0M ammonium sulfate, 50mM sodium citrate, pH 4.6, 5% polyethylene glycol (PEG) 400