1AW1
TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS COMPLEXED WITH 2-PHOSPHOGLYCOLATE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.508, 138.076, 89.524 |
| Unit cell angles | 90.00, 91.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.700 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tre |
| RMSD bond length | 0.014 |
| RMSD bond angle | 24.500 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.084 | 0.198 |
| Total number of observations | 332463 * | |
| Number of reflections | 59692 | |
| <I/σ(I)> | 14 | 7 |
| Completeness [%] | 99.9 | 98.2 |
| Redundancy | 3.7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 4 * | 100MM TRIETHANOLAMINE/HCL 2.OM AMMONIUM SULFATE, 1MM DTT, EDTA, NAN3 20MM PGA PH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | triethanolamine-HCl | 10 (mM) | |
| 3 | 1 | reservoir | 25 (mM) | ||
| 4 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | EDTA | 1 (mM) | |
| 6 | 1 | reservoir | 1 (mM) | ||
| 7 | 1 | reservoir | ammonium sulfate | 100 (mM) |
