2HAW
Crystal structure of family II Inorganic pyrophosphatase in complex with PNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.011, 115.867, 147.874 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.840 - 1.750 |
| R-factor | 0.16683 |
| Rwork | 0.166 |
| R-free | 0.18595 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wpm |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.519 |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 104553 | |
| <I/σ(I)> | 14.89 | 2.76 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 100mM HEPES/K+ (pH 7.5), 2.3-2.5M ammonium sulphate, 3-4% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
