3ZKN
BACE2 FAB INHIBITOR COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-20 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.929, 68.145, 160.855 |
Unit cell angles | 90.00, 92.51, 90.00 |
Refinement procedure
Resolution | 45.750 - 2.000 |
R-factor | 0.20562 |
Rwork | 0.203 |
R-free | 0.25141 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zkm |
RMSD bond length | 0.010 |
RMSD bond angle | 1.384 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.700 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.560 |
Number of reflections | 117848 | |
<I/σ(I)> | 10.5 | 2 |
Completeness [%] | 98.3 | 93.5 |
Redundancy | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.2M LIS04, 0.1M HEPES PH7.5, 25% PEG3350 |