1JQ9
Crystal structure of a complex formed between phospholipase A2 from Daboia russelli pulchella and a designed pentapeptide Phe-Leu-Ser-Tyr-Lys at 1.8 resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 180 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.130, 89.161, 77.548 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.800 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1FE7 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 23.100 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.040 * | 0.090 * |
| Total number of observations | 239988 * | |
| Number of reflections | 22959 * | |
| <I/σ(I)> | 9.44 | 9.9 |
| Completeness [%] | 94.2 | 98 |
| Redundancy | 3.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 25 * | 20mM Sodium cacodylate, 1.4M Ammonium sulfate, 4mM Calcium chloride, 3% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | peptide | 15 (mg/ml) | |
| 2 | 1 | drop | sodium cacodylate | 20 (mM) | pH6.5 |
| 3 | 1 | reservoir | ammonium sulfate | 1.4 (M) | |
| 4 | 1 | reservoir | dioxane | 3 (%) | |
| 5 | 1 | reservoir | sodium cacodylate | 20 (mM) | pH6.5 |
