1E6A
Fluoride-inhibited substrate complex of Saccharomyces cerevisiae inorganic pyrophosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-09-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.770, 102.340, 115.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.900 |
| R-factor | 0.155 |
| Rwork | 0.155 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.200 * |
| Data reduction software | HKL |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.081 | 0.247 |
| Number of reflections | 53366 | |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 97.6 | 92.6 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 19 MICROLITER SITTING DROPS 16-20% MPD, 30 MM MES, PH 6.0, 1 MM MNCL2, 0.5 MM NA2P2O7H2, 5 MM NAF,10 MG/ML PROTEIN |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Mes | 30 (mM) | |
| 2 | 1 | drop | 1 (mM) | ||
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | drop | NaPPi | 1 (mM) | |
| 5 | 1 | drop | MPD | 16 (%) | |
| 6 | 1 | reservoir | MPD | 18-20 (%) |
