6PY9
Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine diphosphate metavanadate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-01 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 126.052, 126.052, 295.149 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.900 - 2.200 |
| R-factor | 0.1654 |
| Rwork | 0.162 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dhl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.918 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 2.225 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rpim | 0.068 | 0.450 |
| Number of reflections | 112252 | 3858 |
| <I/σ(I)> | 8.3 | 1.8 |
| Completeness [%] | 82.0 | 84.9 |
| Redundancy | 5.4 | 3.7 |
| CC(1/2) | 0.994 | 0.585 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291.15 | 2.3 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0 |
