2X1T
Crystallographic binding studies with an engineered monomeric variant of triosephosphate isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.640, 86.850, 55.880 |
| Unit cell angles | 90.00, 97.33, 90.00 |
Refinement procedure
| Resolution | 26.400 - 1.830 |
| R-factor | 0.1741 |
| Rwork | 0.172 |
| R-free | 0.21940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vek |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.015 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 38001 | |
| <I/σ(I)> | 18.4 | 3 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 20% PEG6000, 0.1M CITRATE, PH 5.5 |
