8DSH
Human NAMPT in complex with quercitrin and AMPcP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-10-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.856, 107.270, 83.522 |
Unit cell angles | 90.00, 96.78, 90.00 |
Refinement procedure
Resolution | 45.038 - 2.200 |
R-factor | 0.1669 |
Rwork | 0.165 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e5d |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.650 | 52.650 | 2.270 |
High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
Rmerge | 0.085 | 0.036 | 0.427 |
Rmeas | 0.102 | 0.042 | 0.562 |
Rpim | 0.055 | 0.023 | 0.360 |
Total number of observations | 159730 | 2657 | 8061 |
Number of reflections | 52654 | 797 | 4337 |
<I/σ(I)> | 7.6 | 15.6 | 1.7 |
Completeness [%] | 97.5 | 98.7 | 92.8 |
Redundancy | 3 | 3.3 | 1.9 |
CC(1/2) | 0.993 | 0.997 | 0.705 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | 0.1 M Tris-HCl, pH 8.5, 0.2 M NaCl, 20% glycerol and 13-18% PEG 3350 |