3GBF
Phpd with cadmium complexed with hydroethylphosphonate (HEP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.974, 94.695, 101.595 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.920 |
| R-factor | 0.21398 |
| Rwork | 0.212 |
| R-free | 0.25722 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.225 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.990 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 31537 | |
| <I/σ(I)> | 28.6 | 5.1 |
| Completeness [%] | 99.2 | 92.5 |
| Redundancy | 7.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 273 | 1 M sodium acetate, 100 mM Hepes pH 7.5, 50 mM Cadmium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
