3WZZ
Crystal structure of PIP4KIIBETA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2012-04-22 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.137, 182.404, 105.399 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.700 - 2.600 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bo1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.149 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.470 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.414 | |
| Number of reflections | 32017 | |
| <I/σ(I)> | 3.65 | |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 100MM NA-CITRATE, 10MM MG-ACETATE, 100MM LI-ACETATE CONTAININ, 8-14%(V/V) PEG4000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
