4PKA
Crystal structure of patatin aged with diisopropylphosphorofluoridate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 93.15 |
| Detector technology | CCD |
| Collection date | 2007-11-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 52.990, 52.990, 242.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.332 - 2.600 |
| R-factor | 0.2131 |
| Rwork | 0.210 |
| R-free | 0.27810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.060 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.332 | 2.680 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 10963 | |
| <I/σ(I)> | 20 | 3 |
| Completeness [%] | 95.3 | 87.8 |
| Redundancy | 6.4 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277.15 | 0.1 M sodium acetate, 46% v/v PEG400, 75 mM ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
