3TJ8
Crystal structure of Helicobacter pylori UreE bound to Ni2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-15 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91885 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.552, 117.145, 98.665 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.570 - 1.591 |
| R-factor | 0.18629 |
| Rwork | 0.185 |
| R-free | 0.21115 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tj8 |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.576 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.570 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Number of reflections | 51702 | |
| <I/σ(I)> | 24.9 | 2.6 |
| Completeness [%] | 97.9 | 87.7 |
| Redundancy | 8.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 4.0M sodium formate, 0.1M sodium acetate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
