3L38
Bace1 in complex with the aminopyridine Compound 44
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2003-10-14 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.253, 103.687, 49.983 |
Unit cell angles | 90.00, 95.04, 90.00 |
Refinement procedure
Resolution | 19.927 - 2.100 |
R-factor | 0.213 |
Rwork | 0.211 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1W50.pdb |
RMSD bond length | 0.004 |
RMSD bond angle | 0.937 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.100 |
Number of reflections | 19839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | VAPOR DIFFUSION, HANGING DROP, temperature 291K |