2WF0
Human BACE-1 in complex with 4-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.368, 76.715, 104.183 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.000 - 1.600 |
R-factor | 0.188 |
Rwork | 0.188 |
R-free | 0.20300 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
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 |