1NEY
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 1 21 1 |
| Unit cell lengths | 73.620, 82.800, 38.214 |
| Unit cell angles | 90.00, 101.75, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.200 |
| R-factor | 0.125 |
| Rwork | 0.125 |
| R-free | 0.15000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i45 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.029 |
| 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] | 30.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.057 | 0.237 |
| Total number of observations | 285716 * | |
| Number of reflections | 134020 | |
| Completeness [%] | 95.7 | 91.3 |
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 (%) |
