2AFU
Crystal structure of human glutaminyl cyclase in complex with glutamine t-butyl ester
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 123 |
Detector technology | IMAGE PLATE |
Collection date | 2004-12-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.009 |
Spacegroup name | H 3 2 |
Unit cell lengths | 119.137, 119.137, 332.612 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.220 |
R-factor | 0.198 |
Rwork | 0.188 |
R-free | 0.22600 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.290 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.300 |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.064 | 0.478 |
Number of reflections | 42705 | |
<I/σ(I)> | 16.2 | 2.2 |
Completeness [%] | 94.3 | 86.3 |
Redundancy | 3.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | ammonium sulfate, dioxane, Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | ammonium sulfate, dioxane, Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | ammonium sulfate, dioxane, Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |