2ZE1
X-ray structure of Bace-1 in complex with compound 6g
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2005-01-01 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.026, 104.321, 50.465 |
Unit cell angles | 90.00, 94.57, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.25047 |
Rwork | 0.248 |
R-free | 0.28981 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.288 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 59.760 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.040 |
Number of reflections | 15940 |
<I/σ(I)> | 2 |
Completeness [%] | 0.9 |
Redundancy | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |