1QHW
PURPLE ACID PHOSPHATASE FROM RAT BONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID13 |
| Synchrotron site | ESRF |
| Beamline | ID13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.980, 88.120, 57.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.200 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BASED ON PDB ENTRY 4KBP |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.127 | 0.344 |
| Total number of observations | 63605 * | |
| Number of reflections | 17244 | |
| <I/σ(I)> | 6.2 | 3.2 |
| Completeness [%] | 93.3 | 84.4 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | Kaija, H., (1999) J.Bone Miner.Res., 14, 424. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | |
| 3 | 1 | reservoir | ammonium sulfate | 2.24 (M) | |
| 4 | 1 | reservoir | PEG400 | 10 (%) | |
| 5 | 1 | reservoir | zinc sulfate | 0.05 (M) |
