5I3H
Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-04 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.282, 46.656, 60.981 |
| Unit cell angles | 72.68, 88.47, 80.60 |
Refinement procedure
| Resolution | 28.470 - 2.250 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.21070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tim |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.617 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.470 | 2.299 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.052 | |
| Number of reflections | 23315 | |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 98.4 | |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 287 | 15-25% Peg 8000, 50-100 mM potassium acetate, 100 mM BTP pH 7.0 |
