2QZK
Crystal structure of human Beta Secretase complexed with I21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 103.685, 127.495, 76.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
Rwork | 0.206 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tqf |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNX (VERSION 2000.1) |
Refinement software | CNX (VERSION 2000.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 45268 | |
<I/σ(I)> | 13.9 | 1.3 |
Completeness [%] | 95.9 | 75.7 |
Redundancy | 3.88 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.5M LITHIUM SULFATE, 0.1M HEPES BUFFER, Crystals were grown with L124671 and inh 416198 was back soaked, pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 293K |