3GHH
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] | 77 |
Detector technology | CCD |
Collection date | 2007-05-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.11587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.399, 79.411, 156.297 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.399 - 1.940 |
R-factor | 0.209 |
Rwork | 0.206 |
R-free | 0.24040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 3GC6 and 1YH3 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.655 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 41975 | |
<I/σ(I)> | 11.2 | 2 |
Completeness [%] | 95.6 | 95.6 |
Redundancy | 3.4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 20-30% PEG 4000, 50-250MM AMMONIUM SULFATE, 100 MM SODIUM CACODYLATE OR SODIUM ACETATE OR MES AT PH-6.0-6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |