3KAV
Crystal Structure of THE MUTANT (L80M) PA2107 PROTEIN from Pseudomonas aeruginosa, Northeast Structural Genomics Consortium Target PaR198
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-02 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97870 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.097, 46.549, 87.527 |
| Unit cell angles | 90.00, 122.16, 90.00 |
Refinement procedure
| Resolution | 19.970 - 2.500 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.26600 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX (then SOLVE/RESOLVE) |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.084 | 0.371 |
| Number of reflections | 33749 | |
| <I/σ(I)> | 10.83 | 2.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.4 | 291 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 50 mM Na3Citrate (pH 4.4), 8% PEG4K, and 50 mM MgSO4. microbatch under oil , temperature 291K |
