3VEU
Crystal Structure of Human Beta Secretase in Complex with NVP-AVI326
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-27 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.486, 73.643, 103.917 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.960 - 1.520 |
R-factor | 0.187 |
Rwork | 0.186 |
R-free | 0.20000 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 0.900 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CNX (2002) |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 73.640 | 1.570 | |
High resolution limit [Å] | 1.520 | 8.030 | 1.520 |
Rmerge | 0.046 | 0.017 | 0.532 |
Number of reflections | 57587 | 456 | 5219 |
<I/σ(I)> | 23.32 | 70.4 | 3.49 |
Completeness [%] | 99.2 | 98.9 | 98.4 |
Redundancy | 6.5 | 6.1 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 15% PEG 1,500, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |