9S50
AcuB from Geobacillus stearothermophilus with AMP and ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-06-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.05960 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.564, 96.535, 101.435 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.314 - 3.060 |
| Rwork | 0.223 |
| R-free | 0.28710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.099 |
| Data reduction software | XDS (VERSION Jan 19, 2025) |
| Data scaling software | XSCALE (VERSION Jan 19, 2025) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.105)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 |
| High resolution limit [Å] | 3.060 | 3.060 |
| Number of reflections | 10462 | 2027 |
| <I/σ(I)> | 8.3 | 1.3 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 12.8 | 13.9 |
| CC(1/2) | 0.997 | 0.657 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% PEG 20000, 100 mM MES pH 6.5, soaked 30 min in 5 mM AMP + 5 mM ATP cryo: 10% PEG 20000, 15% PEG 400, 100 mM MES pH 6.5 |
