4AMW
CRYSTAL STRUCTURE OF THE GRACILARIOPSIS LEMANEIFORMIS ALPHA-1,4- GLUCAN LYASE Covalent Intermediate Complex with 5-fluoro-idosyl- fluoride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-22 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 92.100, 97.300, 136.280 |
| Unit cell angles | 80.31, 83.29, 85.21 |
Refinement procedure
| Resolution | 43.570 - 1.900 |
| R-factor | 0.20907 |
| Rwork | 0.207 |
| R-free | 0.25432 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x2h |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.476 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.600 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.500 |
| Number of reflections | 340755 | |
| <I/σ(I)> | 5.3 | 1.6 |
| Completeness [%] | 93.5 | 94.1 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 18-21% PEG 8000, 0.1 M SODIUM ACETATE, PH 5.0-5.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
