4E2B
High resolution crystal structure of the old yellow enzyme from Trypanosoma cruzi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.46 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.347, 68.656, 85.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.480 - 1.269 |
R-factor | 0.14718 |
Rwork | 0.146 |
R-free | 0.17084 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3aty |
RMSD bond length | 0.005 |
RMSD bond angle | 1.161 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.320 |
High resolution limit [Å] | 1.269 | 1.269 |
Rmerge | 0.047 | 0.522 |
Number of reflections | 87922 | |
Completeness [%] | 98.3 | 99.9 |
Redundancy | 4.9 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 28% (w/v) polyethylene glycol 1500 and 0.3 M ammonium fluoride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |