4OKC
Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-01-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 |
Unit cell lengths | 22.960, 42.360, 56.990 |
Unit cell angles | 84.24, 85.91, 84.81 |
Refinement procedure
Resolution | 35.360 - 2.250 |
R-factor | 0.22475 |
Rwork | 0.222 |
R-free | 0.26458 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xd5 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.758 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.103 | 0.300 |
Number of reflections | 9500 | |
<I/σ(I)> | 10 | |
Completeness [%] | 94.2 | 92.3 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1.2M tri-sodium citrate, 0.1M Na HEPES, 6% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |