2PZH
YbgC thioesterase (Hp0496) from Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-19 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.860, 99.206, 107.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.700 |
| R-factor | 0.21088 |
| Rwork | 0.209 |
| R-free | 0.25114 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s5u |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.175 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.500 |
| Number of reflections | 53355 | |
| <I/σ(I)> | 22 | 2.7 |
| Completeness [%] | 90.3 | 76.5 |
| Redundancy | 4.8 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 100mM Tris, 20% Ethanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
