4O18
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2013-01-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.973973 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.308, 105.782, 82.821 |
Unit cell angles | 90.00, 96.10, 90.00 |
Refinement procedure
Resolution | 82.350 - 1.920 |
R-factor | 0.1811 |
Rwork | 0.179 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.036 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.350 | 1.927 |
High resolution limit [Å] | 1.920 | 1.920 |
Number of reflections | 77889 | |
Completeness [%] | 98.9 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 292 | 0.1M Sodium phosphate, pH 8.6, 25% polyethylene glycol 3350, 0.2M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 292K |