1XXS
Structural insights for fatty acid binding in a Lys49 phospholipase A2: crystal structure of myotoxin II from Bothrops moojeni complexed with stearic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.38 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.180, 88.710, 51.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.400 - 1.800 |
| R-factor | 0.17 |
| Rwork | 0.166 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MjTX-II native |
| RMSD bond angle | 21.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.400 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.077 | 0.221 |
| Number of reflections | 21341 | |
| Completeness [%] | 80.7 | 66.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 0.6-0.8 M sodium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
