4XEF
Pyk2-FAT complexed with Leupaxin LD motif LD1
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 | 2011-07-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97120 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 27.482, 78.094, 165.418 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.830 - 2.500 |
R-factor | 0.227 |
Rwork | 0.224 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gm3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.138 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.556 | |
Number of reflections | 12937 | |
<I/σ(I)> | 20.9 | 2.2 |
Completeness [%] | 98.4 | 91.7 |
Redundancy | 7.5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 400 nl drop contained 200 nl protein/LD1 peptide mixture (20 mM MES, pH 6.2, 1 mM protein, and 2 mM peptide) and 200 nl well solution (100 mM Tris, pH 8.5, 0.2 M MgCl2, and 30% PEG 4000). |