9MUA
4OT-SnoaL from P. atlanticus - Apo form
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] | 80 |
| Detector technology | PIXEL |
| Collection date | 2023-09-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.779, 104.256, 193.745 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.680 - 1.970 |
| R-factor | 0.1995 |
| Rwork | 0.199 |
| R-free | 0.24070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.106 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.680 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.178 | 5.184 |
| Rpim | 0.050 | 1.544 |
| Number of reflections | 117762 | 5853 |
| <I/σ(I)> | 9.7 | 0.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.7 | 12.1 |
| CC(1/2) | 0.998 | 0.433 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 9 mg/mL protein, 0.2 M sodium thiocyanate, 20% PEG 3350 |
