4PKB
CRYSTAL STRUCTURE OF PATATIN-17 COMPLEXED WITH METHYL ARACHIDONYL FLUOROPHOSPHONATE (MAFP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 93.15 |
| Detector technology | CCD |
| Collection date | 2008-03-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 53.240, 53.240, 245.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.257 - 2.090 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.257 | 2.160 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Number of reflections | 21776 | |
| <I/σ(I)> | 20 | |
| Completeness [%] | 99.0 | 99.7 |
| Redundancy | 4.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.6 | 294.15 | 0.1 M SODIUM ACETATE, 49% V/V PEG400, 225 MM CESIUM CHLORIDE, PH 4.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 294.15 K |
