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 |