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 |