3HZD
Crystal structure of bothropstoxin-I (BthTX-I), a PLA2 homologue from Bothrops jararacussu venom
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 | 2007-06-14 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.425 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 55.671, 55.671, 127.836 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.640 - 1.910 |
R-factor | 0.21725 |
Rwork | 0.215 |
R-free | 0.25209 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Model not deposited in the PDB but described in paper by M.T. da Silva-Giotto et al. Proteins (1998) 30 pp. 442 454. |
RMSD bond length | 0.020 |
RMSD bond angle | 1.889 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 26.640 |
High resolution limit [Å] | 1.910 |
Number of reflections | 16208 |
Completeness [%] | 92.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 26% PEG 4000, 0.1M Tris-HCl pH 8.5, 0.2M Lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |