3KAW
Crystal Structure of PA2107 PROTEIN from Pseudomonas aeruginosa, Northeast Structural Genomics Consortium Target PaR198
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-22 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.28227 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.698, 50.397, 162.300 |
| Unit cell angles | 90.00, 101.55, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kav |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2 & XtalView) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.075 | 0.218 |
| Number of reflections | 77778 | |
| <I/σ(I)> | 14.59 | 4.41 |
| Completeness [%] | 95.9 | 92.4 |
| Redundancy | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 291 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Reservoir solution: 100 mM Na3Citrate (pH 4.0), 20% PEG 4K, and 100 mM Mg2SO4. microbatch under oil, temperature 291K |
