3K4P
Aspergillus niger Phytase
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 | 71.066, 87.457, 82.185 |
| Unit cell angles | 90.00, 110.98, 90.00 |
Refinement procedure
| Resolution | 66.360 - 2.400 |
| R-factor | 0.21825 |
| Rwork | 0.215 |
| R-free | 0.27548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ihp |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.680 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.740 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.138 | 0.542 |
| Number of reflections | 35613 | |
| <I/σ(I)> | 6.6 | 2.4 |
| Completeness [%] | 96.6 | 99.8 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 25% (w/v) PEG 3350, 0.4M ammonium nitrate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
