6TA0
Human NAMPT in complex with nicotinic acid and phosphoribosyl pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.707, 106.867, 82.827 |
| Unit cell angles | 90.00, 96.50, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.580 |
| Rwork | 0.151 |
| R-free | 0.17660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dhd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.024 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.044 | 0.769 |
| Rmeas | 0.059 | 1.023 |
| Rpim | 0.039 | 0.670 |
| Number of reflections | 142883 | 7096 |
| <I/σ(I)> | 12.5 | 1.4 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.999 | 0.536 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 100 mM Bis Tris propane, 200 mM sodium malonate, 22% PEG3350, 10 mM nicotinic acid, 10 mM PRPP |
