2O3Q
Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-29 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 |
Unit cell lengths | 41.937, 53.280, 65.919 |
Unit cell angles | 105.89, 92.10, 94.81 |
Refinement procedure
Resolution | 20.000 - 1.980 |
R-factor | 0.21056 |
Rwork | 0.207 |
R-free | 0.27821 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yh3 |
RMSD bond length | 0.035 |
RMSD bond angle | 2.520 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.050 |
High resolution limit [Å] | 1.980 | 1.980 |
Number of reflections | 34368 | |
Completeness [%] | 91.9 | 96.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 300 | 100 mM MES, 12% PEG4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |