2Q2J
Crystal structure of PrTX-I, a PLA2 homolog from Bothrops pirajai
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 | 2006-08-01 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 55.883, 55.883, 127.913 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.990 - 1.650 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 2.000 |
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 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 25830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 0.1M Tris HCl, 30% PEG 4000, 0.2M lithium sulfate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |