4Q82
Crystal Structure of Phospholipase/Carboxylesterase from Haliangium ochraceum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 77.935, 146.084, 68.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.296 - 1.848 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.17500 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.270 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.9_1678)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 67799 | |
| <I/σ(I)> | 12.1 | 2.5 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 4.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 0.1 M Bis Tris Propane pH7.0, 1.8 M magnesium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 100K |
