3NAD
Crystal Structure of Phenolic Acid Decarboxylase from Bacillus pumilus UI-670
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-04 |
| Detector | Rayonix 225 HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 92.107, 109.964, 45.428 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.690 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p8g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.059 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.095 | 0.603 |
| Number of reflections | 52226 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 99.1 | 95.7 |
| Redundancy | 5.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 293 | 0.2 M Na/K tartarate, 0.1 M tri-sodium citrate, 0.5 M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, temperature 293K |
