2FEN
3-carboxy-cis,cis-muconate lactonizing enzyme from Agrobacterium radiobacter S2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.030, 205.320, 235.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.600 |
| R-factor | 0.20315 |
| Rwork | 0.200 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fel |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.455 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 133154 | |
| Completeness [%] | 94.6 | 92.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 15 % PEG 8000, 100 mM ammonium sulphate, 3 % MPD, 100 mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
