1NF0
Triosephosphate Isomerase in Complex with DHAP
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 | 2001-01-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9280 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.258, 62.170, 160.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.600 |
| R-factor | 0.2091 |
| Rwork | 0.209 |
| R-free | 0.26800 |
| Structure solution method | COMO |
| Starting model (for MR) | 1i45 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.065 * | |
| Total number of observations | 231083 * | |
| Number of reflections | 62255 | |
| Completeness [%] | 97.7 | 95.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.8 | 277 | Rozovsky, S., (2001) J. Mol. Biol., 310, 271. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 40 (mg/ml) | |
| 2 | 1 | 1 | Tris-HCl | 50 (mM) | |
| 3 | 1 | 1 | 50 (mM) | ||
| 4 | 1 | 1 | EDTA | 1 (mM) | pH6.8 |
| 5 | 1 | 1 | PEG4000 | 14-16 (%) |
