1GMZ
Crystal structure of the D49 phospholipase A2 piratoxin III from Bothrops pirajai.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 61.019, 100.937, 48.333 |
| Unit cell angles | 90.00, 123.76, 90.00 |
Refinement procedure
| Resolution | 14.660 - 2.400 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cl5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.600 * |
| 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] | 14.700 | 2.510 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.114 | 0.264 |
| Number of reflections | 8166 | |
| Completeness [%] | 85.9 | 89.6 |
| Redundancy | 2.9 | 2.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.3 | 291 * | 18% 2-PROPANOL, 21% PEG 4000 AND 0.1 M NA CITRATE PH 5.3 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | 2-propanol | 18 (%) | |
| 3 | 1 | reservoir | PEG4000 | 21 (%) | |
| 4 | 1 | reservoir | sodium citrate | 0.1 (M) |
