2AFW
Crystal structure of human glutaminyl cyclase in complex with N-acetylhistamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 123 |
Detector technology | CCD |
Collection date | 2004-06-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9750 |
Spacegroup name | H 3 2 |
Unit cell lengths | 119.132, 119.132, 332.826 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.560 |
R-factor | 0.199 |
Rwork | 0.189 |
R-free | 0.21300 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.670 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.620 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.044 | 0.498 |
Number of reflections | 128907 | |
<I/σ(I)> | 60.1 | 4.3 |
Completeness [%] | 99.8 | 100 |
Redundancy | 9.5 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | ammonium sulfate, dioxane, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | ammonium sulfate, dioxane, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | ammonium sulfate, dioxane, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |