4INP
The crystal structure of Helicobacter pylori Ceue (HP1561) with Ni(II) bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-09 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.180, 76.950, 72.780 |
| Unit cell angles | 90.00, 94.52, 90.00 |
Refinement procedure
| Resolution | 52.790 - 2.300 |
| R-factor | 0.193 |
| Rwork | 0.189 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3UI8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.740 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.790 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.078 | 0.226 |
| Number of reflections | 27148 | |
| <I/σ(I)> | 8.8 | 5.2 |
| Completeness [%] | 92.0 | 96.2 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 0.1 M SPG buffer, 25% w/v PEG1500, pH 8.0, VAPOR DIFFUSION, temperature 293K |
