4BFB
BACE2 XAPERONE 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 | PIXEL |
| Collection date | 2011-09-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.075, 71.911, 214.111 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.840 - 2.210 |
| R-factor | 0.20723 |
| Rwork | 0.204 |
| R-free | 0.27320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bel |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.405 |
| 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] | 46.840 | 2.310 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.170 | 0.830 |
| Number of reflections | 48973 | |
| <I/σ(I)> | 8.42 | 1.21 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 6.58 | 6.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1M BIS-TRIS-PROPANE PH6.5, 45% PEG 400 |
