4TZI
Structure of unliganded Lyn SH2 domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-21 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 111.915, 27.995, 74.915 |
Unit cell angles | 90.00, 96.81, 90.00 |
Refinement procedure
Resolution | 32.756 - 2.100 |
R-factor | 0.2033 |
Rwork | 0.199 |
R-free | 0.25380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hck |
RMSD bond length | 0.009 |
RMSD bond angle | 1.093 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.092 | |
Number of reflections | 13934 | |
<I/σ(I)> | 25.7 | 10.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.8 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 ul seed stock with 0.2 ul well solution (0.1 M Tris pH 8.5, 20% v/v ethanol) and 0.3 ul of protein (20 mM Hepes pH 7.0, 150 mM NaCl, 1 mM DTT, 22.5 mg/mL) |