3DGR
Crystal structure of human NAMPT complexed with ADP analogue
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 | 2008-01-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.08090 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.290, 107.229, 82.661 |
Unit cell angles | 90.00, 96.41, 90.00 |
Refinement procedure
Resolution | 19.920 - 2.100 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gvj |
RMSD bond length | 0.016 |
RMSD bond angle | 1.487 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.170 |
High resolution limit [Å] | 2.100 | 4.510 | 2.100 |
Rmerge | 0.074 | 0.062 | 0.247 |
Number of reflections | 58632 | ||
<I/σ(I)> | 8.3 | ||
Completeness [%] | 94.5 | 100 | 63.6 |
Redundancy | 3.6 | 3.7 | 2.5 |
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 |