6AZJ
Crystal Structure of human NAMPT in complex with NVP-LQN520
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 | 2013-10-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 61.230, 157.720, 192.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 96.090 - 2.530 |
| R-factor | 0.1735 |
| Rwork | 0.171 |
| R-free | 0.22880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e5b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 208.000 | 2.650 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.142 | 0.476 |
| Rpim | 0.094 | 0.322 |
| Number of reflections | 67507 | 9745 |
| <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 | 6.5 | 293 | 100 mM Hepes pH 6.5, 30-36 % Jeffamine ED-2001 |
