3KF5
Structure of invertase from Schwanniomyces occidentalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-31 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9334 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.778, 119.490, 137.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.650 - 2.900 |
| R-factor | 0.22409 |
| Rwork | 0.222 |
| R-free | 0.25716 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y4w |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.453 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.760 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.197 | 0.750 |
| Total number of observations | 40838 | |
| Number of reflections | 43314 | |
| <I/σ(I)> | 9.7 | 0.8 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 6.9 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 15% PEG 3350, 0.1M Hepes, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
