4TQJ
Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-01-01 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.54187 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.600, 111.700, 135.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.057 - 2.000 |
R-factor | 0.1895 |
Rwork | 0.187 |
R-free | 0.23490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.050 |
Data reduction software | iMOSFLM (3.3.9) |
Data scaling software | SCALA |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.310 | 49.057 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.029 | 0.276 | |
Rmeas | 0.064 | ||
Rpim | 0.027 | 0.014 | 0.181 |
Total number of observations | 262862 | 12313 | 20303 |
Number of reflections | 52439 | ||
<I/σ(I)> | 16.8 | 35.1 | 3.8 |
Completeness [%] | 95.7 | 99.8 | 87.9 |
Redundancy | 5 | 6.3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 298 | 30% PEG 8000 (w/v), 0.2M sodium acetate and 0.1M sodium cacodylate pH 6.4 |