8TM7
Human NAMPT in complex with substrate NAM and small molecule activator NP-A3
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 | 2019-11-02 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.560, 106.864, 83.222 |
Unit cell angles | 90.00, 96.71, 90.00 |
Refinement procedure
Resolution | 52.470 - 1.790 |
R-factor | 0.17887 |
Rwork | 0.178 |
R-free | 0.19753 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e5d |
RMSD bond length | 0.007 |
RMSD bond angle | 1.365 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.470 | 1.820 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.087 | 0.755 |
Rmeas | 0.102 | 0.991 |
Rpim | 0.053 | 0.636 |
Total number of observations | 10064 | |
Number of reflections | 98774 | 4745 |
<I/σ(I)> | 8.7 | 1.2 |
Completeness [%] | 99.8 | |
Redundancy | 3.6 | 2.1 |
CC(1/2) | 0.996 | 0.594 |
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 |