2ZAD
Crystal Structure of Muconate Cycloisomerase from Thermotoga maritima MSB8
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.9781, 0.900, 0.9793 |
| Spacegroup name | P 4 |
| Unit cell lengths | 112.770, 112.770, 122.526 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.17617 |
| Rwork | 0.175 |
| R-free | 0.20084 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.250 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.108 | 0.280 |
| Number of reflections | 200701 | |
| Completeness [%] | 99.7 | 97.1 |
| Redundancy | 7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | OIL-BATCH | 4.5 | 293 | 40%(v/v) PEG 400, 0.1M Acetate, pH 4.5 (Wizard Cryo II-38), OIL-BATCH, temperature 293.0K |
