4JJ9
Crystal Structure of 5-carboxymethyl-2-hydroxymuconate delta-isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.345, 75.481, 107.645 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.760 |
| R-factor | 0.21293 |
| Rwork | 0.212 |
| R-free | 0.23438 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.066 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.099 | 0.308 |
| Number of reflections | 48870 | |
| <I/σ(I)> | 18.1 | |
| Completeness [%] | 99.2 | 94.5 |
| Redundancy | 14 | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% PEG 3350, 0.2M Ammonium Sulfate, 0.1M Bis Tris, Glycerol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
