2FEL
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 1 21 1 |
| Unit cell lengths | 90.860, 208.510, 123.930 |
| Unit cell angles | 90.00, 108.35, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.200 |
| R-factor | 0.19034 |
| Rwork | 0.188 |
| R-free | 0.23574 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1re5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.457 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 219955 | |
| Completeness [%] | 99.5 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 15 % PEG 8000, 100 mM Ammonium sulphate, 100 mM Cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
