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 |