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 |