1ND6
Crystal Structures of Human Prostatic Acid Phosphatase in Complex with a Phosphate Ion and alpha-Benzylaminobenzylphosphonic Acid Update the Mechanistic Picture and Offer New Insights into Inhibitor Design
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1997-12-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 119.890, 203.320, 70.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 * - 2.420* |
R-factor | 0.1981 |
Rwork | 0.198 |
R-free | 0.25200 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 22.400 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.470 |
High resolution limit [Å] | 2.400 * | 2.360 |
Rmerge | 0.056 * | |
Number of reflections | 89003 | |
Completeness [%] | 99.5 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 10 | 298 | PEG, KCL, Glycine, pH 10.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 7-10 (mg/ml) | |
2 | 1 | 1 | PEG1500 | 30 (%) | |
3 | 1 | 1 | PEG1000 | 7 (%) | |
4 | 1 | 1 | PEG400 | 6 (%) | |
5 | 1 | 1 | 100 (mM) | ||
6 | 1 | 1 | glycine | 100 (mM) | pH10.0 |