4XEV
Fusion of Pyk2-FAT domain with Leupaxin LD1 motif, complexed with Leupaxin LD4 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.078, 79.235, 53.227 |
| Unit cell angles | 90.00, 117.62, 90.00 |
Refinement procedure
| Resolution | 27.263 - 2.007 |
| R-factor | 0.2064 |
| Rwork | 0.204 |
| R-free | 0.25020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gm3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.959 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.428 | |
| Number of reflections | 25954 | |
| <I/σ(I)> | 18.6 | 2.4 |
| Completeness [%] | 95.5 | 77.3 |
| Redundancy | 4.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291.2 | The 4 ul drop contained 2 ul protein/LD4 peptide mixture (20 mM MES pH 6.2, 1 mM protein, and 2 mM peptide) and 2 ul well solution (100 mM MES pH 6.5 and 25 % PEG 3000). |
