8DSI
Human NAMPT in complex with substrate NAM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-08-16 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9787 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.816, 106.625, 83.030 |
Unit cell angles | 90.00, 96.70, 90.00 |
Refinement procedure
Resolution | 19.891 - 1.430 |
R-factor | 0.1618 |
Rwork | 0.161 |
R-free | 0.18060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e5d |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.891 | 19.890 | 1.450 |
High resolution limit [Å] | 1.430 | 7.830 | 1.430 |
Rmerge | 0.055 | 0.024 | 0.850 |
Rmeas | 0.065 | 0.028 | 1.177 |
Rpim | 0.033 | 0.015 | 0.811 |
Total number of observations | 4184 | 13022 | |
Number of reflections | 191396 | 1155 | 7807 |
<I/σ(I)> | 11.8 | 39.1 | 0.8 |
Completeness [%] | 99.0 | 94 | 81.7 |
Redundancy | 3.6 | 3.6 | 1.7 |
CC(1/2) | 0.999 | 0.998 | 0.374 |
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 |