4L3K
Crystal structure of Sporosarcina pasteurii UreE bound to Ni2+ and Zn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 63 |
| Unit cell lengths | 91.329, 91.329, 82.792 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.660 - 1.880 |
| R-factor | 0.17256 |
| Rwork | 0.171 |
| R-free | 0.20698 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eb0 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.093 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.660 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.069 | 0.915 |
| Number of reflections | 32043 | |
| <I/σ(I)> | 2.21 | |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 6.6 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.06M magnesium chloride/calcium chloride, 0.1M sodium HEPES/MOPS pH 7.5, 20% ethylene glycol, 10% PEG 8K, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
