1I0B
HIGH RESOLUTION STRUCTURE OF THE MANGANESE-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 1999-12-17 |
| Detector | SBC-1 |
| Wavelength(s) | 0.71 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.444, 90.034, 68.385 |
| Unit cell angles | 90.00, 91.72, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.300 |
| R-factor | 0.225 |
| Rwork | 0.222 |
| R-free | 0.26700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 15.030 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.092 | 0.233 |
| Total number of observations | 1367510 * | |
| Number of reflections | 184739 | |
| <I/σ(I)> | 21.6 | |
| Completeness [%] | 96.3 | 99 |
| Redundancy | 3.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 9 | 4 * | Benning, M.M., (1995) Biochemistry, 34, 7973. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 11 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 10 (%) | |
| 3 | 1 | reservoir | 5 (mM) | ||
| 4 | 1 | reservoir | 2-phenylethanol | 1 (%(v/v)) | |
| 5 | 1 | reservoir | CHES | 50 (mM) |
