2ZED
Crystal structure of the human glutaminyl cyclase mutant S160A at 1.7 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 118.926, 118.926, 332.499 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.21300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2afm |
RMSD bond length | 0.019 |
RMSD bond angle | 1.840 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.042 | 0.560 |
Number of reflections | 99008 | |
<I/σ(I)> | 41.5 | 2.7 |
Completeness [%] | 99.4 | 99.9 |
Redundancy | 4.7 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2%-4% dioxane, 1.6-1.8M ammonium sulfate, 100mM Mes, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |