1KHZ
Structure of the ADPR-ase in complex with AMPCPR and Mg
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-08-16 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.100, 67.400, 96.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 * - 2.070* |
Rwork | 0.196 |
R-free | 0.25000 * |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 * |
RMSD bond angle | 1.850 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 * | 2.130 |
High resolution limit [Å] | 2.070 * | 2.040 |
Rmerge | 0.110 | 0.240 * |
Total number of observations | 140757 * | |
Number of reflections | 27868 * | 2791 * |
Completeness [%] | 94.0 * | 92.7 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.5 * | 291 | VAPOR DIFFUSION, HANGING DROP, temperature 18K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Tris-HCl | 50 (mM) | p7.5 |
2 | 1 | drop | EDTA | 1 (mM) | |
3 | 1 | reservoir | PEG1000 | 10 (%) | |
4 | 1 | reservoir | PEG8000 | 10 (%) |