5KAY
Structure of Spelter bound to Zn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 228 |
| Detector technology | CCD |
| Collection date | 2012-06-04 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.714, 41.496, 61.506 |
| Unit cell angles | 87.27, 83.09, 79.46 |
Refinement procedure
| Resolution | 40.780 - 1.800 |
| R-factor | 0.1948 |
| Rwork | 0.193 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (refmac_5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.790 | 40.790 | 1.820 |
| High resolution limit [Å] | 1.800 | 6.150 | 1.800 |
| Rmerge | 0.098 | 0.042 | 0.971 |
| Number of reflections | 37095 | ||
| <I/σ(I)> | 23.2 | 50.2 | 1.9 |
| Completeness [%] | 97.2 | 99.1 | 94 |
| Redundancy | 3.8 | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 26% PEG3350 0.22 M sodium iodide 10 mM ammonium acetate |
