7JPJ
Crystal Structure of the essential dimeric LYSA from Phaeodactylum tricornutum
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 | 2020-01-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.780, 86.324, 127.196 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.990 - 2.780 |
| R-factor | 0.1989 |
| Rwork | 0.197 |
| R-free | 0.24150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1knw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.540 |
| Data reduction software | XDS (FAST_DP) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (dev_3940) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.880 | 19.880 | 2.930 |
| High resolution limit [Å] | 2.780 | 8.780 | 2.780 |
| Rmerge | 0.274 | 0.093 | 0.854 |
| Rmeas | 0.285 | 0.097 | 0.887 |
| Rpim | 0.077 | 0.027 | 0.238 |
| Total number of observations | 328037 | 10053 | 45788 |
| Number of reflections | 24364 | 788 | 3390 |
| <I/σ(I)> | 9.5 | 20.2 | 3.4 |
| Completeness [%] | 99.3 | 91.5 | 96.7 |
| Redundancy | 13.5 | 12.8 | 13.5 |
| CC(1/2) | 0.990 | 0.997 | 0.895 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 2.0 M Ammonium sulfate and 0.1 M Bis-Tris |
