1SUX
CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE FROM TRYPANOSOMA CRUZI AND 3-(2-benzothiazolylthio)-1-propanesulfonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2002-05-21 |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.870, 75.580, 146.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.030 - 2.000 |
R-factor | 0.183 |
Rwork | 0.183 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tcd |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | bioteX |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 2.000 |
Number of reflections | 31622 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 400, HEPES, ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |