3IN3
Bace1 with Compound 30
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Collection date | 2003-07-22 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.379, 104.854, 50.531 |
| Unit cell angles | 90.00, 94.79, 90.00 |
Refinement procedure
| Resolution | 19.993 - 2.000 |
| R-factor | 0.2032 |
| Rwork | 0.201 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.977 |
| 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] | 20.000 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 25127 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
