3G7N
Crystal Structure of a Triacylglycerol Lipase from Penicillium Expansum at 1.3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.9 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 88.270, 88.270, 126.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.480 - 1.300 |
| R-factor | 0.189 |
| Rwork | 0.188 |
| R-free | 0.20784 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.138 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 2.800 | 1.300 |
| Rmerge | 0.062 | 0.038 | 0.516 |
| Number of reflections | 123399 | ||
| <I/σ(I)> | 40.13 | ||
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 13.4 | 13 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | AS, PEG400, pH 8.0, vapor diffusion, sitting drop, temperature 298K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | AS, PEG400, pH 8.0, vapor diffusion, sitting drop, temperature 298K |
