4QGD
Crystal Structure of the Complex of Phospholipase A2 with Gramine derivative at 1.80 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 | 2014-02-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 43 |
| Unit cell lengths | 51.572, 51.572, 48.097 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.174 - 1.800 |
| R-factor | 0.19793 |
| Rwork | 0.195 |
| R-free | 0.24780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fb2 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.900 |
| 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 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.188 |
| Number of reflections | 10857 | |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 93.4 | 91.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | Ammonium acetate, PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
