3CBI
Crystal structure of the ternary complex of phospholipase A2 with ajmaline and anisic acid at 3.1 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-06-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 |
| Unit cell lengths | 108.799, 108.799, 43.339 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.150 |
| Rwork | 0.228 |
| R-free | 0.24980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2otf |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.200 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Number of reflections | 9673 | |
| <I/σ(I)> | 4 | 2 |
| Completeness [%] | 97.8 | 97.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2M AMMONIUM SULPHATE, 30% PEG-4K, 0.1M SODIUM ACETATE BUFFER, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
