4GKX
Crystal structure of a carbohydrate-binding domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2012-02-25 |
Detector | NOIR-1 |
Wavelength(s) | 0.9790 |
Spacegroup name | P 1 |
Unit cell lengths | 39.283, 111.498, 111.388 |
Unit cell angles | 60.09, 89.21, 86.25 |
Refinement procedure
Resolution | 37.191 - 2.700 |
R-factor | 0.2478 |
Rwork | 0.246 |
R-free | 0.28640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a4u |
RMSD bond length | 0.012 |
RMSD bond angle | 1.339 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHENIX (1.8_1069) |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.190 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.299 | |
Number of reflections | 43492 | |
<I/σ(I)> | 2 | |
Completeness [%] | 96.9 | 97.8 |
Redundancy | 1.94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 17% PEG 8000, 0.002M calcium chloride, 0.01M alpha-1,2-dimannose, 0.05M sodium cacodylate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |