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 |