4OIZ
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 | 2012-06-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.510, 80.860, 100.940 |
Unit cell angles | 90.00, 130.69, 90.00 |
Refinement procedure
Resolution | 40.000 - 3.400 |
R-factor | 0.2443 |
Rwork | 0.242 |
R-free | 0.28820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Native structure |
RMSD bond length | 0.004 |
RMSD bond angle | 0.786 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.580 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.156 | 0.430 |
Number of reflections | 10344 | |
<I/σ(I)> | 6 | |
Completeness [%] | 98.4 | 98.1 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.0M ammonium citrate tribasic, 0.1M bis-tris propane, 60mM methyl-alpha-mannose, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |