1PYM
PHOSPHOENOLPYRUVATE MUTASE FROM MOLLUSK IN WITH BOUND MG2-OXALATE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 1998-01 |
| Detector | BRANDEIS - B1 |
| Wavelength(s) | 0.9787,0.9784,0.9500 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.400, 131.100, 90.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.800 |
| Rwork | 0.188 |
| R-free | 0.25600 |
| Structure solution method | MAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.073 | |
| Total number of observations | 309963 * | |
| Number of reflections | 49056 | |
| <I/σ(I)> | 26.3 | |
| Completeness [%] | 94.0 | 67 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 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 | PEG4000 | 15-25 (%(w/v)) | |
| 3 | 1 | reservoir | 2-propanol | 5 (%) | |
| 4 | 1 | reservoir | 5 (mM) | ||
| 5 | 1 | reservoir | sodium oxalate | 5 (mM) | |
| 6 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 7 | 1 | reservoir | HEPES | 100 (mM) |
