9FTK
Crystal structure of trans-o-hydroxybenzylidenepyruvate hydratase-aldolase from Pseudomonas fluorescens N3 bound to substrate intermediate
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 | 2010-10-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0718 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 144.511, 199.715, 144.511 |
| Unit cell angles | 90.00, 92.58, 90.00 |
Refinement procedure
| Resolution | 46.700 - 1.760 |
| Rwork | 0.177 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.766 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 1.850 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmeas | 0.107 | 0.610 |
| Number of reflections | 366454 | 53349 |
| <I/σ(I)> | 6.2 | |
| Completeness [%] | 90.5 | 90.3 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.994 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.4 M Ammonium phosphate monobasic |
