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 |