1K23
Inorganic Pyrophosphatase (Family II) from Bacillus subtilis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-02-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9763, 0.9793, 0.9393 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.290, 130.560, 150.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 3.000 |
| R-factor | 0.26 * |
| Rwork | 0.260 |
| R-free | 0.29300 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.034 * | 0.074 * |
| Total number of observations | 112247 * | |
| Number of reflections | 32005 | 4579 * |
| <I/σ(I)> | 12.5 | 0.084 |
| Completeness [%] | 98.2 | 98.5 * |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.7 | 291 | PEG 8000, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
| 1 | Vapor diffusion * | 6.7 | 291 | PEG 8000, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG8000 | 22 (%(w/v)) | |
| 2 | 1 | drop | imidazole | 100 (mM) | |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | 10 (mM) | ||
| 5 | 1 | drop | potassium phosphate | 5 (mM) |
