6K10
Non substrate bound state of Staphylococcus Aureus AldH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-12-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 42.087, 95.245, 98.348 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.694 - 1.790 |
| R-factor | 0.214450328416 |
| Rwork | 0.213 |
| R-free | 0.23889 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.663 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.780 | 1.790 |
| Number of reflections | 37718 | 3656 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 98.9 | |
| Redundancy | 30.7 | |
| CC(1/2) | 0.962 | 0.763 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 40 % peg 400, 100 mM MES PH 5.5, 200 mM magnesium sulfate |
