4HN8
Crystal structure of a putative D-glucarate dehydratase from Pseudomonas mendocina ymp
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 126.355, 148.835, 198.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.180 - 2.200 |
| R-factor | 0.1779 |
| Rwork | 0.176 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ec7 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.321 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.174 | 0.070 | 0.874 |
| Number of reflections | 189005 | ||
| <I/σ(I)> | 4.8 | 2.51 | |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 10.1 | 9.8 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES sodium pH 7.5, 10% v/v Propanol, 20% PEG 4000, Vapor diffusion, Sitting drop, temperature 298K |
