3E6Q
Putative 5-carboxymethyl-2-hydroxymuconate isomerase from Pseudomonas aeruginosa.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 172.796, 145.243, 122.252 |
| Unit cell angles | 90.00, 134.91, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.750 |
| R-factor | 0.137 |
| Rwork | 0.136 |
| R-free | 0.16400 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.586 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.110 | 0.862 |
| Number of reflections | 213832 | |
| <I/σ(I)> | 24.6 | 1.96 |
| Completeness [%] | 99.9 | 98.4 |
| Redundancy | 7.6 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 294 | 0.1 M sodium acetate, 3.5 M sodium formate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
