6B75
Crystal Structure of human NAMPT in complex with NVP-LOQ594
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.049, 207.985, 98.466 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.000 - 2.530 |
R-factor | 0.181 |
Rwork | 0.177 |
R-free | 0.24700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6atb |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 208.000 | 2.670 |
High resolution limit [Å] | 2.530 | 2.530 |
Number of reflections | 67507 | |
<I/σ(I)> | 8.6 | 3.2 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 100 mM Tris/HCl pH 8.0, 23 % (w/v) PEG 3350, 200 mM NaCl |