1M8T
Structure of an acidic Phospholipase A2 from the venom of Ophiophagus hannah at 2.1 resolution from a hemihedrally twinned crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2002-01-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 98.060, 98.060, 132.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.000 * - 2.100 |
| Rwork | 0.192 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1poa |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.460 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.078 | 0.383 |
| Total number of observations | 1527037 * | |
| Number of reflections | 41966 | |
| <I/σ(I)> | 38.1 | 7.4 |
| Completeness [%] | 99.9 | 98.8 |
| Redundancy | 16.1 | 14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 3.4M 1,6-hexanediol, 0.2M magnesium chloride, 0.1M tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | 1,6-hexanediol | 3.4 (M) | |
| 3 | 1 | drop | 0.2 (M) | ||
| 4 | 1 | drop | Tris-HCl | 0.1 (M) | pH8.5 |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
| 6 | 1 | reservoir | 1,6-hexanediol | 6 (M) |
