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 | 2024-11-19 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.920250 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.000, 89.150, 94.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.880 - 1.450 |
| R-factor | 0.2003 |
| Rwork | 0.199 |
| R-free | 0.21190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.839 |
| Data reduction software | XDS (20241002) |
| Data scaling software | XSCALE (20241002) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.930 | 64.930 | 1.490 |
| High resolution limit [Å] | 1.450 | 6.490 | 1.450 |
| Rmerge | 0.136 | 0.037 | 2.254 |
| Rmeas | 0.141 | 0.039 | 2.353 |
| Number of reflections | 93529 | 1177 | 6797 |
| <I/σ(I)> | 12.64 | ||
| Completeness [%] | 99.9 | ||
| Redundancy | 13.3 | ||
| CC(1/2) | 0.999 | 0.999 | 0.377 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.2 M Sodium acetate trihydrate , 0.1 M Sodium citrate 5.5 , 5 % w/v PEG 4000 |
