6EQV

X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Phac-Cit-Val-Arg-Amba

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 65 2 2
格子定数 [Å]	131.601, 131.601, 155.638
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	45.976 - 1.895
R因子	0.1646
Rwork	0.164
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jxh
結合長の平均二乗偏差(RMSD) [Å]	0.006
結合角の平均二乗偏差(RMSD) [度]	0.830
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	47.200	2.010
分解能 [Å] (高)	1.890	1.890
Rmerge_l_obs	0.109	0.723
Rmeas	0.118	0.786
独立反射数	63141	9981
<I/σ(I)>	14.97	2.84
完全性 [%]	99.4
冗長性	6.54
CC(1/2)	0.998	0.844

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP		293.15	CRYSTALLIZATION SOLUTION: 100mM MES, 200mM K/NaH2PO4, PH 5.5-6.0, 3-4M NaCl, 3% DMSO; RESERVOIR SOLUTION: 3-4 M NaCl