3I4Q
Structure of a putative inorganic pyrophosphatase from the oil-degrading bacterium Oleispira antarctica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-02-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 110.666, 110.666, 74.324 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.560 - 1.630 |
| R-factor | 0.17575 |
| Rwork | 0.174 |
| R-free | 0.21227 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Swiss-Modeller model based on coordinates from 2EIP |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.527 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.560 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.056 | |
| Number of reflections | 21698 | |
| <I/σ(I)> | 38.72 | 6.3 |
| Completeness [%] | 99.1 | 92.4 |
| Redundancy | 10.5 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 2M Ammonium Sulfate, 0.1M Bis-Tris, cryoprotected in Paratone-N oil, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
