6BYF
Crystal structure of the core catalytic domain of PP-IP phosphatase SIW14 from S. cerevisiae in complex with citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97177 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 92.968, 92.968, 814.716 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.454 - 2.350 |
| R-factor | 0.2064 |
| Rwork | 0.206 |
| R-free | 0.22850 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.795 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmeas | 0.116 | 0.544 |
| Number of reflections | 162303 | 7262 |
| <I/σ(I)> | 15.1 | 1.5 |
| Completeness [%] | 97.9 | 87.1 |
| Redundancy | 5.2 | 3.9 |
| CC(1/2) | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.7M sodium citrate, 50 mM ?-mercaptoethanol |
