1BQ3
SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10-15 |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.580, 93.380, 148.560 |
| Unit cell angles | 90.00, 90.13, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.24000 |
| Structure solution method | OTHER |
| Starting model (for MR) | 5pgm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.600 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.081 | 0.189 |
| Number of reflections | 41238 | |
| <I/σ(I)> | 7.8 | 3.9 |
| Completeness [%] | 66.0 | 54.6 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8.65 | Rigden, D.J., (1998) J.Mol.Biol., 276, 449. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | inositol hexakisphosphate | 1 (mM) | |
| 3 | 1 | reservoir | Tris-HCl | 60 (mM) | pH8.65 |
| 4 | 1 | reservoir | lithium sulfate | 120 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 22-24 (%) |
