8ZX0
Crystal Structure of CntL in complex with a dual-site inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97914 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.395, 135.511, 131.814 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.756 - 2.091 |
| Rwork | 0.201 |
| R-free | 0.23930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.175 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.760 | 2.200 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.072 | 0.853 |
| Number of reflections | 29426 | 4341 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 97.1 | 100 |
| Redundancy | 5.1 | 5.4 |
| CC(1/2) | 0.998 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.23 M Calcium acetate, 0.1 M Sodium cacodylate 6.4, 35% PEG 300, 1.5% iBu |
