1ZWP
The atomic resolution Crystal structure of the Phospholipase A2 (PLA2) complex with Nimesulide reveals its weaker binding to PLA2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 203 |
| Detector technology | CCD |
| Collection date | 2005-03-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.803 |
| Spacegroup name | P 43 |
| Unit cell lengths | 52.273, 52.273, 47.804 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.200 - 1.100 |
| R-factor | 0.13136 |
| Rwork | 0.130 |
| R-free | 0.14690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fb2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.668 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.200 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 51691 | |
| <I/σ(I)> | 18.2 | 2.3 |
| Completeness [%] | 99.8 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2M Ammonium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
