1M1B
Crystal Structure of Phosphoenolpyruvate Mutase Complexed with Sulfopyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-05-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.024, 130.441, 90.475 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.500 - 2.250 |
| R-factor | 0.185 |
| Rwork | 0.179 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pym |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.500 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.064 | 0.244 |
| Number of reflections | 21045 | |
| <I/σ(I)> | 13.8 | 3.7 |
| Completeness [%] | 83.3 | 64.9 |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG 4000, glycerol, magnesium chloride, Hepes, sulfopyruvate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG7000 | 18 (%(w/v)) | |
| 2 | 1 | reservoir | glycerol | 15 (%) | |
| 3 | 1 | reservoir | 5 (mM) | ||
| 4 | 1 | reservoir | HEPES | 100 (mM) | pH7.0-8.0 |
| 5 | 1 | drop | protein | 9 (mg/ml) | |
| 6 | 1 | drop | S-pyr | 5 (mM) |
