4HAO
Crystal Structure of Inorganic Polyphosphate/ATP-NAD Kinase from Yersinia pestis CO92
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.091, 65.160, 86.386 |
| Unit cell angles | 90.00, 124.95, 90.00 |
Refinement procedure
| Resolution | 33.747 - 2.551 |
| R-factor | 0.188 |
| Rwork | 0.185 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 2AN1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.122 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1032)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Number of reflections | 20436 | |
| <I/σ(I)> | 16.5 | 2.1 |
| Completeness [%] | 99.4 | 98.6 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 0.1 M sodium acetate trihydrate pH 4.6, 1 M magnesium sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
