1IJL
Crystal structure of acidic phospholipase A2 from deinagkistrodon acutus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-01-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.710, 38.000, 69.900 |
| Unit cell angles | 90.00, 99.35, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| R-factor | 0.184 * |
| Rwork | 0.184 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1psj |
| RMSD bond length | 0.070 |
| RMSD bond angle | 1.220 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.122 | 0.403 |
| Total number of observations | 80310 * | |
| Number of reflections | 8966 | |
| <I/σ(I)> | 14.1 | 3.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 9 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | MPD, sodium chloride, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 0.05 (M) | pH7.5 |
| 3 | 1 | drop | 0.07 (M) | ||
| 4 | 1 | drop | MPD | 12 (%) | |
| 5 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 6 | 1 | reservoir | MPD | 70 (%) |
