6NEA
Human Acetylcholinesterase in complex with reactivator, HLo7
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 31 2 1 |
格子定数 [Å] | 104.730, 104.730, 324.247 |
格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
残基 | 41.252 - 2.419 |
R因子 | 0.1772 |
Rwork | 0.176 |
R-free | 0.20540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ey4 |
結合長の平均二乗偏差(RMSD) [Å] | 0.003 |
結合角の平均二乗偏差(RMSD) [度] | 0.689 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3311: ???)) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 2.460 |
分解能 [Å] (高) | 2.419 | 2.419 |
Rmerge_l_obs | 0.111 | 0.629 |
Rpim | 0.052 | 0.335 |
独立反射数 | 79654 | |
<I/σ(I)> | 12.89 | 2.55 |
完全性 [%] | 99.5 | 93.3 |
冗長性 | 5.6 | 4.4 |
CC(1/2) | 0.816 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 15 to 21% PEG 3350, 0.17 - 0.2M potassium nitrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |