1PSU
Structure of the E. coli PaaI protein from the phyenylacetic acid degradation operon
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 69.847, 69.847, 117.168 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.870 - 2.200 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.25100 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 26640 | |
| Completeness [%] | 99.5 | 94.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 291 | 13% PEG 4000, 0.1M Bis-Tris pH 6.0, 20% MPD, 0.2M Lithium Sulfate , VAPOR DIFFUSION, temperature 291K |
