2QOG
Crotoxin B, the basic PLA2 from Crotalus durissus terrificus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.427 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.895, 81.159, 100.039 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.930 - 2.280 |
| R-factor | 0.228 |
| Rwork | 0.228 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | monomer A of BthTX-I (closed form) |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.360 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.127 | 0.547 |
| Number of reflections | 27552 | |
| <I/σ(I)> | 9.57 | 2.04 |
| Completeness [%] | 85.9 | 90 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 0.1 M Tris HCl and 11% (w/v) PEG 8000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
