9NDL
Crystal Structure of C2-B-alpha20
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 61.185, 93.301, 60.693 |
| Unit cell angles | 90.00, 119.94, 90.00 |
Refinement procedure
| Resolution | 28.990 - 2.150 |
| R-factor | 0.2081 |
| Rwork | 0.203 |
| R-free | 0.25230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.509 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.990 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.094 | 0.524 |
| Number of reflections | 15664 | 1104 |
| <I/σ(I)> | 8.7 | 2.7 |
| Completeness [%] | 98.0 | 94.5 |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.993 | 0.863 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 2.0 M Ammonium sulfate, 0.1 M Sodium acetate pH 4.6 |
