3INE
Bace1 with the aminohydantoin Compound S-34
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 93 |
Collection date | 2002-11-13 |
Wavelength(s) | 1.5418 |
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 | ? - 1.996 |
R-factor | 0.2221 |
Rwork | 0.219 |
R-free | 0.27580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w50 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.940 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | |
High resolution limit [Å] | 1.996 |
Number of reflections | 23067 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 8% PEG 3350, 100 mM NaAcetate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |