3DHD
Crystal structure of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.29000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.175, 107.071, 83.336 |
Unit cell angles | 90.00, 97.02, 90.00 |
Refinement procedure
Resolution | 19.890 - 2.000 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3dgr |
RMSD bond length | 0.018 |
RMSD bond angle | 1.596 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.4.0069) |
Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.072 | 0.047 | 0.252 |
Number of reflections | 75507 | ||
<I/σ(I)> | 5.8 | ||
Completeness [%] | 90.1 | 100 | 45.2 |
Redundancy | 3.5 | 3.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 200mM NaCl, 100mM Tris-HCl, 15% PEG 3350, 20% Glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |