2OMA
Crystallographic analysis of a chemically modified triosephosphate isomerase from Trypanosoma cruzi with dithiobenzylamine (DTBA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-03 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.206, 75.337, 146.427 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.450 - 2.150 |
R-factor | 0.199 |
Rwork | 0.196 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tcd |
RMSD bond length | 0.022 |
RMSD bond angle | 1.914 |
Data reduction software | CrystalClear |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.450 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.093 | 0.316 |
Number of reflections | 23141 | |
<I/σ(I)> | 10.3 | 3.8 |
Completeness [%] | 91.0 | 96.8 |
Redundancy | 3.4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 291 | 5 MICROL OF THE PROTEIN SOLUTION WERE MIXED WITH 5 MICROL OF 2 % POLYETHYLENE GLYCOL 400, 0.1 M HEPES, 2.0M AMMONIUM SULFATE, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K, PH 7.50. CRYSTAL SOAKED IN DITHIOBENZYLAMINE |