2XBI
Crystal structure of Schistosoma mansoni Thioredoxin at 1.6 Angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-27 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.213, 46.769, 56.408 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.010 - 1.600 |
R-factor | 0.20136 |
Rwork | 0.200 |
R-free | 0.22934 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xwa |
RMSD bond length | 0.012 |
RMSD bond angle | 1.418 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.010 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.110 | 0.490 |
Number of reflections | 14224 | |
<I/σ(I)> | 14.6 | 4.7 |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 6.9 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1M BISTRIS, PH 6.5, 45% POLYPROPYLENE GLYCOL P400 |