1AW2
TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-11 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.660, 137.820, 89.540 |
| Unit cell angles | 90.00, 90.94, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.650 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | LIGANDED STRUCTURE (PDB ENTRY 1AFI) |
| RMSD bond length | 0.015 |
| RMSD bond angle | 24.200 * |
| 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 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.101 | 0.298 |
| Total number of observations | 166818 * | |
| Number of reflections | 60048 | |
| <I/σ(I)> | 11 | 6.7 |
| Completeness [%] | 95.7 | 95.8 |
| Redundancy | 3.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 4 * | 100MM TRIETHANOLAMINE/HCL 100MM AMMONIUM SULFATE, 1MM DTT, EDTA, NAN3 1.26M SODIUM CITRATE PH 7.0 |
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 | 2PG | 20 (mM) |
