3T0R
Crystal Structure of MjTX-I, a myotoxic Lys49-phospholipase A2 from Bothrops moojeni
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 | 2010-08-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.421 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 57.593, 125.848, 65.327 |
| Unit cell angles | 90.00, 105.91, 90.00 |
Refinement procedure
| Resolution | 33.440 - 2.490 |
| R-factor | 0.23297 |
| Rwork | 0.231 |
| R-free | 0.26671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qll |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.151 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.440 | 2.550 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.057 | 0.220 |
| Number of reflections | 15300 | |
| <I/σ(I)> | 20.64 | 4.69 |
| Completeness [%] | 98.0 | 98.9 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 32% (w/v) PEG 4000; 0.1 M Tris HCl; 0.15 M Magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
