1SH8
1.5 A Crystal Structure of a Protein of Unknown Function PA5026 from Pseudomonas aeruginosa, Probable Thioesterase
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 | 2004-02-08 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9795,0.9797,0.94656 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.608, 72.231, 91.051 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.240 - 1.500 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.21700 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.065 | 0.387 |
| Number of reflections | 109285 | |
| <I/σ(I)> | 21.25 | 1.98 |
| Completeness [%] | 95.0 | 64.4 |
| Redundancy | 4.97 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | NaForm 2M, 0.1M NaAcet. 2%MPD, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
