2BQ8
Crystal structure of human purple acid phosphatase with an inhibitory conformation of the repression loop
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 94.756, 94.756, 144.007 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.182 |
| Rwork | 0.181 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ute |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.383 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.230 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.110 | 0.410 |
| Number of reflections | 1988 | |
| <I/σ(I)> | 28.7 | 6.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 19.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.05 M HEPES PH6.0, 2 M AMMONIUM SULFATE, 10% PEG400, 0.05M ZINC SULFATE, pH 6.00 |
