3DZJ
Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex
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 | 2006-02-21 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 |
Unit cell lengths | 41.858, 53.228, 65.670 |
Unit cell angles | 106.11, 91.97, 95.03 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.188 |
Rwork | 0.185 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yh3 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.772 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.980 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.090 | 0.436 |
Number of reflections | 41633 | |
<I/σ(I)> | 21.2 | 2.9 |
Completeness [%] | 97.5 | 95.2 |
Redundancy | 3.8 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 298 | 100 mM MES pH 6.0, 15% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |