3P5S
Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 130 |
Detector technology | CCD |
Collection date | 2007-04-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.205, 80.029, 157.725 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.014 - 1.950 |
R-factor | 0.209 |
Rwork | 0.205 |
R-free | 0.25150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gc6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.192 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 78.800 |
High resolution limit [Å] | 1.950 |
Number of reflections | 39086 |
<I/σ(I)> | 1 |
Completeness [%] | 90.0 |
Redundancy | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20-30% PEG 4000, 50-250 mM AMMONIUM SULFATE, 100 MM SODIUM CACODYLATE OR SODIUM ACETATE OR MES AT PH-6.0-6.5, pH 6.0 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |