8RRY
Crystal structure of copper-loaded SmAA10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM07 |
| Synchrotron site | ESRF |
| Beamline | BM07 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.646, 106.738, 55.459 |
| Unit cell angles | 90.00, 99.95, 90.00 |
Refinement procedure
| Resolution | 27.312 - 1.456 |
| R-factor | 0.161523858793 |
| Rwork | 0.160 |
| R-free | 0.18848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.760 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.312 | 1.508 |
| High resolution limit [Å] | 1.456 | 1.456 |
| Rmerge | 0.090 | 0.985 |
| Rmeas | 0.106 | 1.176 |
| Number of reflections | 52821 | 5146 |
| <I/σ(I)> | 9.01 | 1.08 |
| Completeness [%] | 98.4 | 96 |
| Redundancy | 3.5 | |
| CC(1/2) | 0.996 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | precipitant: 0.1 M citric acid (pH 3.7), 25% w/v PEG 3350; protein solution: holo-SmAA10 (15 mg/mL) in 50 mM MES (pH 6.5) |
