9D16
Tt Pah2 D155N calcium
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 | 2023-03-23 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92010 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.277, 90.042, 109.503 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.550 - 2.400 |
| R-factor | 0.2157 |
| Rwork | 0.214 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.629 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.550 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.191 | 2.430 |
| Rmeas | 0.199 | 2.531 |
| Rpim | 0.054 | 0.699 |
| Number of reflections | 30560 | 3035 |
| <I/σ(I)> | 8.97 | 1.46 |
| Completeness [%] | 99.9 | 99.93 |
| Redundancy | 13.5 | 12.9 |
| CC(1/2) | 0.997 | 0.565 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% PEG 8000, 0.1 MES pH 6, and 0.2 M calcium acetate |
