4KF3
Crystal Structure of Myotoxin II (MjTX-II), a myotoxic Lys49-phospholipase A2 from Bothrops moojeni.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.42 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.999, 62.169, 86.007 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.960 - 1.920 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xxs |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.990 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.044 | 0.410 |
Number of reflections | 19571 | |
<I/σ(I)> | 10.37 | 2.01 |
Completeness [%] | 92.4 | 97.6 |
Redundancy | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 20% (v/v) 2-propanol, 20% (w/v) polyethylene Glycol 4000 and 0.1 M Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |