5I3G
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 | 46.420, 75.416, 75.779 |
| Unit cell angles | 102.04, 104.78, 97.84 |
Refinement procedure
| Resolution | 29.030 - 1.960 |
| R-factor | 0.1749 |
| Rwork | 0.172 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tim |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.835 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.030 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.097 | |
| Number of reflections | 67582 | |
| <I/σ(I)> | 7 | |
| Completeness [%] | 98.9 | |
| Redundancy | 2.7 |
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 |
