3K4Q
Aspergillus niger Phytase in complex with myo-inositol hexakis sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953715 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.699, 87.571, 81.765 |
| Unit cell angles | 90.00, 110.61, 90.00 |
Refinement procedure
| Resolution | 62.010 - 2.200 |
| R-factor | 0.20013 |
| Rwork | 0.197 |
| R-free | 0.25367 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ihp |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.861 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.530 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.110 | 0.442 |
| Number of reflections | 46790 | |
| <I/σ(I)> | 8.8 | 2.4 |
| Completeness [%] | 96.1 | 97.9 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 25% (w/v) PEG 3350, 0.2M ammonium nitrate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
