3LO0
Crystal structure of inorganic pyrophosphatase from Ehrlichia chaffeensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-24 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 69.710, 69.710, 172.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.850 - 1.950 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb deposition 1INO modified with CCP4 program CHAINSAW |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.396 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.043 | 0.536 |
| Number of reflections | 12025 | |
| <I/σ(I)> | 37.08 | 4.3 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 10.5 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | HR CRYSTAL SCREEN HT C8: 2.0M AMMONIUM SULPHATE, EHCHA.01623.A AT 27MG/ML, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
