4BFD
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 | 2009-06-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 102.008, 102.008, 171.040 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.900 - 2.300 |
| R-factor | 0.18227 |
| Rwork | 0.179 |
| R-free | 0.23525 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zmg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.328 |
| 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] | 47.900 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.210 | 0.720 |
| Number of reflections | 24130 | |
| <I/σ(I)> | 10.7 | 1.98 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.57 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 2.5M SODIUM FORMATE, 100MM HEPES, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |
