9FXR
Crystal structure of trans-o-hydroxybenzylidenepyruvate hydratase-aldolase from Pseudomonas fluorescens N3 bound to pyruvate
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 | 2010-09-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97925 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 200.172, 200.362, 144.473 |
| Unit cell angles | 90.00, 133.81, 90.00 |
Refinement procedure
| Resolution | 104.466 - 2.303 |
| Rwork | 0.200 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.641 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.100 | 2.343 |
| High resolution limit [Å] | 2.303 | 2.303 |
| Rmerge | 0.197 | 1.201 |
| Rmeas | 0.251 | 1.550 |
| Number of reflections | 165206 | 8709 |
| <I/σ(I)> | 4.1 | 1.3 |
| Completeness [%] | 91.4 | 96.8 |
| Redundancy | 2.4 | 2.3 |
| CC(1/2) | 0.967 | 0.371 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.8 M Sodium phosphate monobasic monohydrate, 0.8 M Potassium phosphate monobasic, 0.1 M HEPES sodium pH 7.5 |
