5XNR
Truncated AlyQ with CBM32 and alginate lyase domains
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-03-03 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 74.317, 74.317, 179.733 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.190 - 2.300 |
R-factor | 0.2289 |
Rwork | 0.226 |
R-free | 0.27450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uai |
RMSD bond length | 0.009 |
RMSD bond angle | 1.337 |
Data reduction software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.190 | 37.160 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.096 | 0.051 | 0.396 |
Rmeas | 0.117 | 0.061 | 0.483 |
Number of reflections | 22663 | ||
<I/σ(I)> | 5.8 | 13 | 2.1 |
Completeness [%] | 97.5 | 94.4 | 98.4 |
Redundancy | 2.9 | 2.8 | 2.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 30% PEG 3350, 0.1M sodium acetate pH 4.0, 0.2M potassium phosphate |