3IGB
Bace-1 with Compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 93 |
| Collection date | 2001-11-27 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.137, 104.330, 49.551 |
| Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
| Resolution | 19.918 - 2.238 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.24740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w50 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.076 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.920 |
| High resolution limit [Å] | 2.238 |
| Number of reflections | 16947 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 0.1 M NaAcetate pH 5.4 8% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
