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 |
