2X1R
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 X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR555 FLAT PANEL |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.940, 86.920, 56.280 |
| Unit cell angles | 90.00, 98.58, 90.00 |
Refinement procedure
| Resolution | 14.920 - 1.980 |
| R-factor | 0.164 |
| Rwork | 0.161 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vek |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.002 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.460 | 2.050 |
| High resolution limit [Å] | 1.970 | 1.980 |
| Rmerge | 0.090 | 0.430 |
| Number of reflections | 28367 | |
| <I/σ(I)> | 13.1 | 3 |
| Completeness [%] | 91.4 | 85.1 |
| Redundancy | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 20% PEG6000, 0.1M CITRATE, PH 5.5 |
