4IOT
High-resolution Structure of Triosephosphate isomerase from E. coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97670 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.470, 67.452, 150.354 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.160 - 1.850 |
| R-factor | 0.1737 |
| Rwork | 0.172 |
| R-free | 0.20633 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tre |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.037 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.160 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 38754 | |
| <I/σ(I)> | 20.56 | 2.29 |
| Completeness [%] | 99.4 | 93.06 |
| Redundancy | 5.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 0.1 M Bis-Tris and 20% PEG5000 MME, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
