7XWW
Crystal structure of NTR in complex with BN-XB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.870, 61.669, 88.332 |
| Unit cell angles | 96.64, 100.83, 110.72 |
Refinement procedure
| Resolution | 35.260 - 2.800 |
| R-factor | 0.2914 |
| Rwork | 0.286 |
| R-free | 0.37860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oon |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.290 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.143 | 0.242 |
| Rmeas | 0.169 | 0.285 |
| Rpim | 0.089 | 0.149 |
| Number of reflections | 18556 | 2806 |
| <I/σ(I)> | 6.9 | 4.8 |
| Completeness [%] | 90.4 | 92.6 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.963 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 282 | 0.04 M KH2PO4, 26% PEG8000, and 20% Glycerol |
