3EIS
Crystal Structure of Arylmalonate Decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.508, 99.395, 139.981 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.24000 |
| Structure solution method | MIR |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.975 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.057 | 0.393 |
| Total number of observations | 493346 | |
| Number of reflections | 68612 | |
| <I/σ(I)> | 30.1 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.5M AMMONIUM SULFATE, 12% (W/V) GLYCEROL, 0.1M TRIS-HCL, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
