3N4L
BACE-1 in complex with ELN380842
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-10-28 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.047, 105.582, 101.575 |
| Unit cell angles | 90.00, 104.63, 90.00 |
Refinement procedure
| Resolution | 28.000 - 2.700 |
| R-factor | 0.22581 |
| Rwork | 0.223 |
| R-free | 0.28266 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ivi |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.747 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.280 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.067 | 0.570 |
| Number of reflections | 46696 | |
| <I/σ(I)> | 1.4 | |
| Completeness [%] | 98.9 | 98.9 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M NaAcetate, 12% w/v PEG 8000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
