2QNU
Crystal structure of PA0076 from Pseudomonas aeruginosa PAO1 at 2.05 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97940 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.257, 125.407, 49.876 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.320 - 2.050 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.23400 |
| Structure solution method | MAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.773 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.320 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.190 | 0.747 |
| Number of reflections | 23865 | |
| <I/σ(I)> | 17.357 | 3.2 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 9.6 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M Sodium cacodylate, 0.2M Calcium acetate, 18% PEG 8000, 0.3M NDSB 256, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
