2PGJ
Catalysis associated conformational changes revealed by human cd38 complexed with a non-hydrolyzable substrate analog
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 | 2006-09-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 |
Unit cell lengths | 41.891, 53.195, 65.636 |
Unit cell angles | 105.34, 91.96, 94.94 |
Refinement procedure
Resolution | 28.410 - 1.710 |
R-factor | 0.19239 |
Rwork | 0.191 |
R-free | 0.22359 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2o3t |
RMSD bond length | 0.009 |
RMSD bond angle | 1.182 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0021) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.082 | 0.318 |
Number of reflections | 54368 | |
<I/σ(I)> | 2.73 | |
Completeness [%] | 92.7 | 71 |
Redundancy | 3.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 300 | 100 mM MES, pH 6.0, and 10% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 300K |