9CCE
structure of DYNA_1b7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-07 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92009 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.433, 67.783, 68.360 |
| Unit cell angles | 90.00, 98.03, 90.00 |
Refinement procedure
| Resolution | 28.840 - 3.150 |
| R-factor | 0.2626 |
| Rwork | 0.257 |
| R-free | 0.31300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.416 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.430 | 3.230 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.138 | 0.658 |
| Rpim | 0.102 | |
| Number of reflections | 6972 | 517 |
| <I/σ(I)> | 5.6 | 1.3 |
| Completeness [%] | 98.3 | 96.8 |
| Redundancy | 3.1 | 3.1 |
| CC(1/2) | 0.989 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 0.1 M Phosphate/citrate pH 4.2 and 40 % v/v PEG 300 |
