4QER
Crystal Structure of the Complex of Phospholipase A2 with Resveratrol at 1.20 A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2014-02-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 43 |
| Unit cell lengths | 52.348, 52.348, 47.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.170 - 1.200 |
| R-factor | 0.19047 |
| Rwork | 0.189 |
| R-free | 0.21876 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fb2 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.213 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.042 | 0.335 |
| Number of reflections | 39365 | |
| <I/σ(I)> | 42.2 | 3.8 |
| Completeness [%] | 99.1 | 98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | Ammonium sulphate, PEG 4000 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
