7YQR
Crystal Structure of Xcc NAMPT and its complex with NAM
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 115.950, 115.950, 317.750 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.850 - 2.000 |
R-factor | 0.1883 |
Rwork | 0.187 |
R-free | 0.20920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7yqq |
RMSD bond length | 0.007 |
RMSD bond angle | 0.801 |
Data reduction software | xia2 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.15_3459: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.850 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 86028 | 6228 |
<I/σ(I)> | 18.8 | |
Completeness [%] | 100.0 | |
Redundancy | 38.6 | |
CC(1/2) | 0.999 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | ammonium tartrate, N,N-Bis(3-D-gluconamidopropyl) cholamide, N,N-Dimethyldecylamine-N-oxide |