1OBW
STRUCTURE OF INORGANIC PYROPHOSPHATASE
Experimental procedure
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 110.300, 110.300, 78.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.176 * |
| Rwork | 0.176 |
| R-free | 0.23200 * |
| Structure solution method | MOLECULAR REPL. |
| Starting model (for MR) | REFINED STRUCTURE OF APO-FORM OF THIS ENZYME AT 2.2A. (HARUTYUNYAN ET AL. 1996 CRYSTALLOGRAPHIA(RUS) V.14 PP84-96. |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.077 * | 0.241 * |
| Total number of observations | 360600 * | |
| Number of reflections | 41190 | |
| <I/σ(I)> | 14 | 4 |
| Completeness [%] | 99.6 * | 99.9 * |
| 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 | Tris-HCl | 100 (mM) | |
| 2 | 1 | drop | 25 (%) | ||
| 3 | 1 | drop | protein | 0.2 (M) | |
| 4 | 1 | drop | 250 (mM) | ||
| 5 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 6 | 1 | reservoir | 58 (%) | ||
| 7 | 1 | reservoir | 250 (mM) |
