4S1F
Fructose-6-phosphate aldolase A from E.coli soaked in acetylacetone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 100.485, 130.709, 355.180 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 48.390 - 2.242 |
| R-factor | 0.23324 |
| Rwork | 0.232 |
| R-free | 0.25101 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rxf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.142 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.400 | 2.290 |
| High resolution limit [Å] | 2.242 | 2.242 |
| Rmerge | 0.080 | 0.603 |
| Number of reflections | 232071 | |
| <I/σ(I)> | 16.8 | 2.6 |
| Completeness [%] | 94.8 | 95.6 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.2 | 25% PEG3350, 0.1M Tris-HCl pH 8.5, 0.2M LiCl , VAPOR DIFFUSION, HANGING DROP, temperature 293.2K |
