3ZKI
BACE2 MUTANT STRUCTURE WITH LIGAND
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 | 2009-06-14 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.310, 89.249, 98.850 |
Unit cell angles | 90.00, 96.96, 90.00 |
Refinement procedure
Resolution | 49.060 - 2.400 |
R-factor | 0.18561 |
Rwork | 0.183 |
R-free | 0.24059 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zkg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.434 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.100 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.080 | 0.440 |
Number of reflections | 31592 | |
<I/σ(I)> | 10.4 | 2.2 |
Completeness [%] | 98.6 | 99.7 |
Redundancy | 2.54 | 2.53 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.1M TRIS PH8.0, 25% PEG3350 |