3ZOV
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL 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 | 2009-04-29 |
Detector | MARRESEARCH |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 102.571, 102.571, 171.320 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.410 - 2.100 |
R-factor | 0.22143 |
Rwork | 0.219 |
R-free | 0.27238 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zmg |
RMSD bond length | 0.012 |
RMSD bond angle | 1.339 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.400 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.130 | 0.730 |
Number of reflections | 29206 | |
<I/σ(I)> | 16.55 | 2.35 |
Completeness [%] | 91.3 | 98.5 |
Redundancy | 13.7 | 14.12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.5M SODIUM FORMATE, 100MM HEPES, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |