5NSD
Co-crystal structure of NAMPT dimer with KPT-9274
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-06 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.138, 109.167, 84.974 |
| Unit cell angles | 90.00, 96.63, 90.00 |
Refinement procedure
| Resolution | 42.203 - 2.046 |
| R-factor | 0.2376 |
| Rwork | 0.235 |
| R-free | 0.28270 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.869 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.139 | 0.557 |
| Number of reflections | 70896 | |
| <I/σ(I)> | 9 | 2.09 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M Sodium Chloride, 0.1 M Tris pH 8.5, 22% w/v PEG 3350 |
