3Q4Y
Crystal structure of group I phospholipase A2 at 2.3 A resolution in 40% ethanol revealed the critical elements of hydrophobicity of the substrate-binding site
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 | 2010-10-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 41 |
| Unit cell lengths | 42.153, 42.153, 65.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.150 - 2.300 |
| R-factor | 0.20247 |
| Rwork | 0.201 |
| R-free | 0.22601 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nju |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.268 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.150 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 5101 | |
| <I/σ(I)> | 31.4 | 31.4 |
| Completeness [%] | 99.7 | 96.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 10MM sodium phosphate buffer, 2M calcium chloride, 40% ethanol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
