2PGW
Crystal structure of a putative muconate cycloisomerase from Sinorhizobium meliloti 1021
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 | 2007-03-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.315, 178.139, 115.176 |
| Unit cell angles | 90.00, 106.20, 90.00 |
Refinement procedure
| Resolution | 48.890 - 1.950 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.21500 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 234402 | |
| <I/σ(I)> | 10.7 | 3 |
| Completeness [%] | 98.0 | 86.7 |
| Redundancy | 6.2 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 20% PEG 3350, 0.2M LiSO4, 5% Glycerol, 0.1M Bis-tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
