9JTI
X-ray structure of NeIle indicator complexed with isoleucine
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 | 2024-07-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.100, 69.200, 80.500 |
| Unit cell angles | 90.00, 111.11, 90.00 |
Refinement procedure
| Resolution | 75.550 - 1.620 |
| Rwork | 0.158 |
| R-free | 0.18370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.731 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.550 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 88962 | 6547 |
| <I/σ(I)> | 7.5 | 1.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.990 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, 0.2M Sodium Acetate, pH 7.0 |
