5H4F
Structure of inorganic pyrophosphatase crystallised as a contaminant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-01-07 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 108.098, 108.098, 155.607 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.500 - 2.050 |
| R-factor | 0.21349 |
| Rwork | 0.211 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ipw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.418 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.500 |
| High resolution limit [Å] | 2.050 |
| Rmerge | 0.150 |
| Number of reflections | 22181 |
| <I/σ(I)> | 10.8 |
| Completeness [%] | 100.0 |
| Redundancy | 10.7 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 295 | 0.2 M Sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3350 |
