2WEZ
Human BACE-1 in complex with 1-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-4-(2-oxo-1- pyrrolidinyl)-1H-indole-6-carboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF |
Synchrotron site | ESRF |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.531, 76.758, 104.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.000 - 1.700 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.22300 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
Refinement software | CNS |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | CRYSTALS GROWN BY VAPOUR DIFFUSION AT 20C USING STREAK SEEDING, WITH 10% PEG8000 AND 0.1M GLYCINE PH 3.2 |